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Bufanolides and derivatives

Description:

Steroid lactones containing a pyran-2-one moiety linked to the C17 atom of a cyclopenta[a]phenanthrene derivative.

Ancestors:

Organic compounds ⮕ Lipids and lipid-like molecules ⮕ Steroids and steroid derivatives ⮕ Steroid lactones ⮕ Bufanolides and derivatives
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Items 13-18 of 18

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  1. Cinobufagin
      Grade & Purity: 
    • ≥98%
    Cas Number: 470-37-1
    Formula:  C26H34O6        Molecular Weight: 442.54
    IUPAC Name:  [(1R,2S,4R,5R,6R,7R,10S,11S,14S,16R)-14-hydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate
    SMILES:  CC(=O)OC1C(C2(CCC3C(C24C1O4)CCC5C3(CCC(C5)O)C)C)C6=COC(=O)C=C6
    InChIKey: SCULJPGYOQQXTK-OLRINKBESA-N
    InChI:  InChI=1S/C26H34O6/c1-14(27)31-22-21(15-4-7-20(29)30-13-15)25(3)11-9-18-19(26(25)23(22)32-26)6-5-16-12-17(28)8-10-24(16,18)2/h4,7,13,16-19,21-23,28H,5-show more
    Synonyms: s3224 | C16931 | SR-05000002305 | AKOS040745795 | Bufa-20,22-dienolide, 16-(acetyloxy)-14,15-epoxy-3-hydroxy-, (3-bet...
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  2. Bufalin
      Grade & Purity: 
    • 10mM in DMSO
    Cas Number: 465-21-4
    Formula:  C24H34O4        Molecular Weight: 386.52
    IUPAC Name:  5-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-oshow more
    SMILES:  CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=COC(=O)C=C5)O)C)O
    InChIKey: QEEBRPGZBVVINN-BMPKRDENSA-N
    InChI:  InChI=1S/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3/t16show more
    Synonyms: 3-methoxy-2-pyridinone | Bufalin: Bufa-20,22-dienolide, 3,14-dihydroxy-, (3b,5b)-, | bufalin | Bufa-20,22-dienolide, ...
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  3. Bufotaline
      Grade & Purity: 
    • ≥99%
    Cas Number: 471-95-4
    Formula:  C26H36O6        Molecular Weight: 444.56
    IUPAC Name:  [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3,14-dihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenshow more
    SMILES:  CC(=O)OC1CC2(C3CCC4CC(CCC4(C3CCC2(C1C5=COC(=O)C=C5)C)C)O)O
    InChIKey: VOZHMAYHYHEWBW-NVOOAVKYSA-N
    InChI:  InChI=1S/C26H36O6/c1-15(27)32-21-13-26(30)20-6-5-17-12-18(28)8-10-24(17,2)19(20)9-11-25(26,3)23(21)16-4-7-22(29)31-14-16/h4,7,14,17-21,23,28,30H,5-6,8show more
    Synonyms: AKOS030526151 | EINECS 228-208-9 | NCGC00485932-01 | Bufa-20,22-dienolide, 16-(acetyloxy)-3,14-dihydroxy-, (3beta,5be...
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  4. Arenobufagin
    Cas Number: 464-74-4
    Formula:  C24H32O6        Molecular Weight: 416.51
    IUPAC Name:  5-[(3S,5R,8R,9S,10S,11S,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yshow more
    SMILES:  CC12CCC(CC1CCC3C2C(C(=O)C4(C3(CCC4C5=COC(=O)C=C5)O)C)O)O
    InChIKey: JGDCRWYOMWSTFC-AZGSIFHYSA-N
    InChI:  InChI=1S/C24H32O6/c1-22-9-7-15(25)11-14(22)4-5-17-19(22)20(27)21(28)23(2)16(8-10-24(17,23)29)13-3-6-18(26)30-12-13/h3,6,12,14-17,19-20,25,27,29H,4-5,7show more
    Synonyms: Arenobufagin|464-74-4|27R42QLM25|12-Oxo-3-beta,11-alpha,14-trihydroxy-5-beta-bufa-20,22-dienolide|5-[(3S,5R,8R,9S,10S...
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  5. Bufalin
    Cas Number: 465-21-4
    Formula:  C24H34O4        Molecular Weight: 386.52
    IUPAC Name:  5-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-oshow more
    SMILES:  CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=COC(=O)C=C5)O)C)O
    InChIKey: QEEBRPGZBVVINN-BMPKRDENSA-N
    InChI:  InChI=1S/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3/t16show more
    Synonyms: 3-methoxy-2-pyridinone | Bufalin: Bufa-20,22-dienolide, 3,14-dihydroxy-, (3b,5b)-, | bufalin | Bufa-20,22-dienolide, ...
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  6. Gamabufotalin
      Grade & Purity: 
    • ≥98%
    Cas Number: 465-11-2
    Formula:  C24H34O5        Molecular Weight: 402.52
    IUPAC Name:  5-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pshow more
    SMILES:  CC12CCC(CC1CCC3C2C(CC4(C3(CCC4C5=COC(=O)C=C5)O)C)O)O
    InChIKey: FMTLOAVOGWSPEF-KJRPADTMSA-N
    InChI:  InChI=1S/C24H34O5/c1-22-9-7-16(25)11-15(22)4-5-18-21(22)19(26)12-23(2)17(8-10-24(18,23)28)14-3-6-20(27)29-13-14/h3,6,13,15-19,21,25-26,28H,4-5,7-12H2,show more
    Synonyms: 3-beta,11-alpha,14-Trihydroxy-5-beta-bufa-20,22-dienolide | NSC90384 | NSC-90384 | AC-34676 | 5-beta-BUFA-20,22-DIENO...
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