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Mutilane diterpenoids

Description:

Diterpenoids with a structure based on the mutilane skeleton.

Ancestors:

Organic compounds ⮕ Lipids and lipid-like molecules ⮕ Prenol lipids ⮕ Diterpenoids ⮕ Mutilane diterpenoids
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12 Items

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  1. Lefamulin
    Cas Number: 1061337-51-6        EC Number: 813-124-2
    Formula:  C28H45NO5S        Molecular Weight: 507.73
    IUPAC Name:  [(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[(1R,2R,4R)-4-amino-2-hydroxycyclohexshow more
    SMILES:  CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CSC4CCC(CC4O)N)C
    InChIKey: KPVIXBKIJXZQJX-FCEONZPQSA-N
    InChI:  InChI=1S/C28H45NO5S/c1-6-26(4)14-22(34-23(32)15-35-21-8-7-18(29)13-20(21)31)27(5)16(2)9-11-28(17(3)25(26)33)12-10-19(30)24(27)28/h6,16-18,20-22,24-25,show more
    Synonyms: SCHEMBL19766421 | 1061337-51-6 (free base) | EX-A3600 | AKOS040759180 | [(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydro...
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  2. BC-3205
    SMILES:  C=C[C@]1(C)C[C@@H](OC(=O)CSC2CCCN(C2)C(=O)[C@@H](C(C)C)N)[C@]2(C)[C@H](C)CC[C@]3([C@H]([C@@H]1O)C)[C@H]2C(=O)CC3
    InChIKey: AFYOQRIZFPJUAR-UBTCORFISA-N
    InChI:  InChI=1S/C32H52N2O5S/c1-8-30(6)16-24(31(7)20(4)11-13-32(21(5)28(30)37)14-12-23(35)27(31)32)39-25(36)18-40-22-10-9-15-34(17-22)29(38)26(33)19(2)3/h8,19show more
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  3. Tiamulin Fumarate
      Grade & Purity: 
    • ≥95%
    Cas Number: 55297-96-6        Compound CID:  23725049
    Formula:  C32H51NO8S        Molecular Weight: 609.81
    IUPAC Name:  (E)-but-2-enedioic acid;[(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-(diethylamshow more
    SMILES:  CCN(CC)CCSCC(=O)OC1CC(C(C(C23CCC(C1(C2C(=O)CC3)C)C)C)O)(C)C=C.C(=CC(=O)O)C(=O)O
    InChIKey: YXQXDXAHCSEVSD-GCYNEOGWSA-N
    InChI:  InChI=1S/C28H47NO4S.C4H4O4/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28;5-3(6)1-2-4(7)8/h8,1show more
    Synonyms: Acetic acid, ((2-(diethylamino)ethyl)thio)-, 6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH...
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  4. Tiamulin Fumarate
      Grade & Purity: 
    • 10mM in DMSO
    Cas Number: 55297-96-6(DMSO)        Compound CID:  23725049
    Formula:  C32H51NO8S        Molecular Weight: 609.81
    IUPAC Name:  (E)-but-2-enedioic acid;[(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-(diethylamshow more
    SMILES:  CCN(CC)CCSCC(=O)OC1CC(C(C(C23CCC(C1(C2C(=O)CC3)C)C)C)O)(C)C=C.C(=CC(=O)O)C(=O)O
    InChIKey: YXQXDXAHCSEVSD-GCYNEOGWSA-N
    InChI:  InChI=1S/C28H47NO4S.C4H4O4/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28;5-3(6)1-2-4(7)8/h8,1show more
    Synonyms: TIAMULIN FUMARATE|Dynamutilin|Tiamulin hydrogen fumarate|Tiavet|55297-96-6|Thiamutilin fumarate|Sandoz 81723hfu|UNII-...
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  5. Valnemulin HCl
      Grade & Purity: 
    • 10mM in DMSO
    Cas Number: 133868-46-9        Compound CID:  60195218
    Formula:  C31H52N2O5S·HCl        Molecular Weight: 601.28
    IUPAC Name:  [(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[1-[[(2R)-2-amino-3-methylbutanoyl]amshow more
    SMILES:  CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CSC(C)(C)CNC(=O)C(C(C)C)N)C.Cl
    InChIKey: MFBPRQKHDIVLOJ-AFFLPQGKSA-N
    InChI:  InChI=1S/C31H52N2O5S.ClH/c1-10-29(8)15-22(38-23(35)16-39-28(6,7)17-33-27(37)24(32)18(2)3)30(9)19(4)11-13-31(20(5)26(29)36)14-12-21(34)25(30)31;/h10,18show more
    Synonyms: Valnemulin hydrochloride|133868-46-9|Valnemulin HCl|Econor|UNII-W1GDP58BNQ|W1GDP58BNQ|Valnemulin hydrochloride [MI]|D...
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  6. Tiamulin
      Grade & Purity: 
    • 10mM in DMSO
    Cas Number: 55297-95-5        EC Number: 259-580-0        Compound CID:  656958
    Formula:  C28H47NO4S        Molecular Weight: 493.74
    IUPAC Name:  [(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-(diethylamino)ethylsulfanyl]acetatshow more
    SMILES:  CCN(CC)CCSCC(=O)OC1CC(C(C(C23CCC(C1(C2C(=O)CC3)C)C)C)O)(C)C=C
    InChIKey: UURAUHCOJAIIRQ-QGLSALSOSA-N
    InChI:  InChI=1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-1show more
    Synonyms: Tiamulin|55297-95-5|Denagard|Thiamutilin|Tiamulina|Tiamuline|Tiamulinum|Tiavet P|SQ 14055|CHEBI:44137|Tiamulin pamoat...
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  7. Tiamulin
    Cas Number: 55297-95-5        EC Number: 259-580-0        Compound CID:  656958
    Formula:  C28H47NO4S        Molecular Weight: 493.74
    IUPAC Name:  [(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-(diethylamino)ethylsulfanyl]acetatshow more
    SMILES:  CCN(CC)CCSCC(=O)OC1CC(C(C(C23CCC(C1(C2C(=O)CC3)C)C)C)O)(C)C=C
    InChIKey: UURAUHCOJAIIRQ-QGLSALSOSA-N
    InChI:  InChI=1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-1show more
    Synonyms: ((2-(Diethylamino)Ethyl)Thio)-, 6-Ethenyldecahydro-5-Hydroxy-4,6,9,10-Tetramethyl-1-Oxo-3a,9-Propano-3aH-Cyclopentacy...
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  8. Pleuromutilin
      Grade & Purity: 
    • ≥95%
    Cas Number: 125-65-5        Compound CID:  46782767
    Formula:  C22H34O5        Molecular Weight: 378.51
    IUPAC Name:  [(2R,3S,4S,6R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-hydroxyacetate
    SMILES:  CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CO)C
    InChIKey: ZRZNJUXESFHSIO-JKZASVEESA-N
    InChI:  InChI=1S/C22H34O5/c1-6-20(4)11-16(27-17(25)12-23)21(5)13(2)7-9-22(14(3)19(20)26)10-8-15(24)18(21)22/h6,13-14,16,18-19,23,26H,1,7-12H2,2-5H3/t13-,14+,1show more
    Synonyms: PLEUROMULIN | (3aS,4R,5S,6S,8R,9R,9aR,12R)-5-Hydroxy-4,6,9,12-tetramethyl-1-oxo-6-vinyldecahydro-3a,9-propanocyclopen...
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  9. Pleuromutilin
      Grade & Purity: 
    • 10mM in DMSO
    Cas Number: 125-65-5        Compound CID:  46782767
    Formula:  C22H34O5        Molecular Weight: 378.51
    IUPAC Name:  [(2R,3S,4S,6R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-hydroxyacetate
    SMILES:  CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CO)C
    InChIKey: ZRZNJUXESFHSIO-JKZASVEESA-N
    InChI:  InChI=1S/C22H34O5/c1-6-20(4)11-16(27-17(25)12-23)21(5)13(2)7-9-22(14(3)19(20)26)10-8-15(24)18(21)22/h6,13-14,16,18-19,23,26H,1,7-12H2,2-5H3/t13-,14+,1show more
    Synonyms: Pleuromutilin|PLEUROMULIN|125-65-5|Drosophilin B|(3aS,4R,5S,6S,8R,9R,9aR,12R)-5-Hydroxy-4,6,9,12-tetramethyl-1-oxo-6-...
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  10. Lefamulin acetate (Xenleta)
      Grade & Purity: 
    • ≥98%
    Cas Number: 1350636-82-6        Compound CID:  86346053
    Formula:  C3OH49NO7S        Molecular Weight: 567.78
    IUPAC Name:  acetic acid;[(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[(1R,2R,4R)-4-amino-2-hydshow more
    SMILES:  CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CSC4CCC(CC4O)N)C.CC(=O)O
    InChIKey: WSMXIQXWHPSVDE-ZPJPNJFZSA-N
    InChI:  InChI=1S/C28H45NO5S.C2H4O2/c1-6-26(4)14-22(34-23(32)15-35-21-8-7-18(29)13-20(21)31)27(5)16(2)9-11-28(17(3)25(26)33)12-10-19(30)24(27)28;1-2(3)4/h6,16-show more
    Synonyms: BC-3781 acetate | DTXSID801027897 | AT18250 | Lefamulinacetate | Q27279882 | D11632 | MS-30273 | Lefamulin (acetate) ...
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  11. Valnemulin HCl
      Grade & Purity: 
    • ≥95%
    Cas Number: 133868-46-9        Compound CID:  60195218
    Formula:  C31H52N2O5S·HCl        Molecular Weight: 601.28
    IUPAC Name:  [(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[1-[[(2R)-2-amino-3-methylbutanoyl]amshow more
    SMILES:  CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CSC(C)(C)CNC(=O)C(C(C)C)N)C.Cl
    InChIKey: MFBPRQKHDIVLOJ-AFFLPQGKSA-N
    InChI:  InChI=1S/C31H52N2O5S.ClH/c1-10-29(8)15-22(38-23(35)16-39-28(6,7)17-33-27(37)24(32)18(2)3)30(9)19(4)11-13-31(20(5)26(29)36)14-12-21(34)25(30)31;/h10,18show more
    Synonyms: DTXSID30158407 | Acetic acid, 2-[[2-[[(2R)-2-amino-3-methyl-1-oxobutyl]amino]-1,1-dimethylethyl]thio]-, (3aS,4R,5S,6S...
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  12. Retapamulin
    Cas Number: 224452-66-8        Compound CID:  6918462
    Formula:  C30H47NO4S        Molecular Weight: 517.76
    IUPAC Name:  [(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1show more
    SMILES:  CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CSC4CC5CCC(C4)N5C)C
    InChIKey: STZYTFJPGGDRJD-FJJJPKKESA-N
    InChI:  InChI=1S/C30H47NO4S/c1-7-28(4)16-24(35-25(33)17-36-22-14-20-8-9-21(15-22)31(20)6)29(5)18(2)10-12-30(19(3)27(28)34)13-11-23(32)26(29)30/h7,18-22,24,26-show more
    Synonyms: DTXSID30181492 | HY-17010 | Altargo | RETAPAMULIN [MI] | RETAPAMULIN [INN] | (3aS,4R,5S,6S,8R,9R,9aR,10R)-2-(exo-8-Me...
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