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Cucurbitacins

Description:

Polycyclic compounds containing the tetracyclic cucurbitane nucleus skeleton, 19-(10->9b)-abeo-10alanost-5-ene (also known as 9b-methyl-19-nor lanosta-5-ene), with a variety of oxygenation functionalities at different positions.
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Items 1-12 of 18

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  1. Cucurbitacin A
      Grade & Purity: 
    • ≥98%
    Cas Number: 6040-19-3        Compound CID:  5281315
    Formula:  C32H46O9        Molecular Weight: 574.7
    IUPAC Name:  [(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenshow more
    SMILES:  CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(=O)C4(C)C)O)CO)C)C)O)O
    InChIKey: IHTCCHVMPGDDSL-IVNGUWCNSA-N
    InChI:  InChI=1S/C32H46O9/c1-17(34)41-27(2,3)12-11-23(37)31(8,40)25-21(36)14-29(6)22-10-9-18-19(13-20(35)26(39)28(18,4)5)32(22,16-33)24(38)15-30(25,29)7/h9,11show more
  2. Isocucurbitacin B
      Grade & Purity: 
    • ≥98%
    Cas Number: 17278-28-3        Compound CID:  5352014
    IUPAC Name:  [(E,6R)-6-[(3S,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-4,4,9,13,14-pentamethyl-2,11-dioxo-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrenshow more
    SMILES:  CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(=O)C(C4(C)C)O)C)C)C)O)O
    InChIKey: WTBZNVRBNJWSPF-DZEACCAPSA-N
    InChI:  InChI=1S/C32H46O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-1show more
  3. Mogroside IIIA1
      Grade & Purity: 
    • ≥98%
    Cas Number: 88901-42-2        Compound CID:  102594497
    Formula:  C48H82O19        Molecular Weight: 963.15
    IUPAC Name:  (3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(3R,6R)-6-[(3S,8S,9R,10R,11R,13R,14S)-3,11-dihydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydroshow more
    SMILES:  CC(CCC(C(C)(C)O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)O)C4CCC5(C4(CC(C6(C5CC=C7C6CCC(C7(C)C)O)C)O)C)C
    InChIKey: DDDXYRAMQRKPDO-MQMWZZRVSA-N
    InChI:  InChI=1S/C48H82O19/c1-21(22-15-16-46(6)28-12-10-23-24(11-13-29(51)44(23,2)3)48(28,8)30(52)17-47(22,46)7)9-14-31(45(4,5)61)66-43-40(67-42-39(60)36(57)3show more
    Synonyms: 11-O-Mogroside IIIA1 | (2R,3R,4S,5S,6R)-2-(((2R,3S,4S,5R,6S)-6-(((3R,6R)-6-((3S,8S,9R,10R,11R,13R,14S,17R)-3,11-Dihyd...
  4. Mogroside IA
      Grade & Purity: 
    • ≥98%
    Cas Number: 88901-46-6
    Formula:  C36H62O9        Molecular Weight: 638.87
    IUPAC Name:  (2S,3R,4S,5S,6R)-2-[(3R,6R)-6-[(3S,8S,9R,10R,11R,13R,14S,17R)-3,11-dihydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopentashow more
    SMILES:  CC(CCC(C(C)(C)O)OC1C(C(C(C(O1)CO)O)O)O)C2CCC3(C2(CC(C4(C3CC=C5C4CCC(C5(C)C)O)C)O)C)C
    InChIKey: UNCMRQFSKAVFQU-QZGPORMMSA-N
    InChI:  InChI=1S/C36H62O9/c1-19(9-14-27(33(4,5)43)45-31-30(42)29(41)28(40)23(18-37)44-31)20-15-16-34(6)24-12-10-21-22(11-13-25(38)32(21,2)3)36(24,8)26(39)17-3show more
  5. Mogroside IIA
      Grade & Purity: 
    • ≥96%
    Cas Number: 1613527-65-3        Compound CID:  138911437
    IUPAC Name:  (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(3R,6R)-6-[(3S,8S,9R,10R,11R,13R,14S,17R)-3,11-dihydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decshow more
    SMILES:  CC(CCC(C(C)(C)O)OC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O)C3CCC4(C3(CC(C5(C4CC=C6C5CCC(C6(C)C)O)C)O)C)C
    InChIKey: NZDCGZOHJTWGOX-KZQQMABOSA-N
    InChI:  InChI=1S/C42H72O14/c1-20(21-15-16-40(6)26-12-10-22-23(11-13-27(45)38(22,2)3)42(26,8)28(46)17-41(21,40)7)9-14-29(39(4,5)52)55-37-35(33(50)31(48)25(19-4show more
  6. Mogroside IIA1
      Grade & Purity: 
    • ≥98%
    Cas Number: 88901-44-4
    Formula:        
    IUPAC Name:  (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(3R,6R)-6-[(3S,8S,9R,10R,11R,13R,14S,17R)-3,11-dihydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-deshow more
    SMILES:  C[C@H](CC[C@H](C(C)(C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)[C@H]3CC[C@@]4([C@@]3(C[C@H]([C@@]5([Cshow more
    InChIKey: NWPTUAQJIALPLJ-NCHDIWMLSA-N
    InChI:  InChI=1S/C42H72O14/c1-20(21-15-16-40(6)26-12-10-22-23(11-13-27(44)38(22,2)3)42(26,8)28(45)17-41(21,40)7)9-14-29(39(4,5)52)56-37-35(51)33(49)31(47)25(5show more
    Synonyms: (2S,3R,4S,5S,6R)-2-(((3R,6R)-6-((3S,8S,9R,10R,11R,13R,14S,17R)-3,11-Dihydroxy-4,4,9,13,14-pentamethyl-2,3,4,7,8,9,10,...
  7. Cucurbitacin D
      Grade & Purity: 
    • ≥99%
    Cas Number: 3877-86-9        EC Number: 686-158-7        Compound CID:  5281318
    Formula:  C30H44O7        Molecular Weight: 516.67
    IUPAC Name:  (2S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octashow more
    SMILES:  CC1(C2=CCC3C4(CC(C(C4(CC(=O)C3(C2CC(C1=O)O)C)C)C(C)(C(=O)C=CC(C)(C)O)O)O)C)C
    InChIKey: SRPHMISUTWFFKJ-QJNWWGCFSA-N
    InChI:  InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23show more
    Synonyms: (23E)-2beta,16alpha,20,25-tetrahydroxy-10alpha-cucurbita-5,23-diene-3,11,22-trione | NSC 308606 | 19-Nor-9-beta,10-al...
  8. 3α-Hydroxymogrol
      Grade & Purity: 
    • ≥98%
    Cas Number: 1343402-73-2        Compound CID:  54597624
    Formula:  C30H52O4        Molecular Weight: 476.73
    IUPAC Name:  (3R,8S,9R,10R,11R,13R,14S,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopentshow more
    SMILES:  CC(CCC(C(C)(C)O)O)C1CCC2(C1(CC(C3(C2CC=C4C3CCC(C4(C)C)O)C)O)C)C
    InChIKey: JLYBBRAAICDTIS-HYBNOKSXSA-N
    InChI:  InChI=1S/C30H52O4/c1-18(9-13-24(32)27(4,5)34)19-15-16-28(6)22-12-10-20-21(11-14-23(31)26(20,2)3)30(22,8)25(33)17-29(19,28)7/h10,18-19,21-25,31-34H,9,1show more
  9. Cucurbitacin Q1
      Grade & Purity: 
    • ≥99%
    Cas Number: 99530-82-2        Compound CID:  14165733
    Formula:  C32H48O8        Molecular Weight: 560.72
    IUPAC Name:  [(E,6R)-6-hydroxy-2-methyl-5-oxo-6-[(2S,3S,8S,9R,10R,13R,14S,16R,17R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahyshow more
    SMILES:  CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(C4(C)C)O)O)C)C)C)O)O
    InChIKey: LMJMTWXDWFWZHV-OBTWUPKTSA-N
    InChI:  InChI=1S/C32H48O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-1show more
  10. cucurbitacin B
    IUPAC Name:  [(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrenshow more
    SMILES:  CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O)C)C)C)O)O
    InChIKey: IXQKXEUSCPEQRD-DKRGWESNSA-N
    InChI:  InChI=1S/C32H46O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-1show more
    Synonyms: Cuc B | NSC 144154 | SCHEMBL231815 | Cucurbitacin B | AKOS015897085 | Cucurbitacine (B) | CUCURBITACIN R - DATISCA PR...
  11. Hemslecin A
      Grade & Purity: 
    • 10mM in DMSO
    Cas Number: 58546-34-2        Compound CID:  181183
    Formula:  C32H50O8        Molecular Weight: 562.73
    IUPAC Name:  [(6R)-6-hydroxy-2-methyl-5-oxo-6-[(2S,3S,8S,9R,10R,13R,14S,16R,17R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrshow more
    SMILES:  CC(=O)OC(C)(C)CCC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(C4(C)C)O)O)C)C)C)O)O
    InChIKey: LKYNAQSYQLFTCM-GYXNDICUSA-N
    InChI:  InChI=1S/C32H50O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,19-2show more
    Synonyms: Cucurbitacin IIa|Hemslecin A|58546-34-2|Curcurbitacin IIa|Dihydrocucurbitacin Q1|[(6R)-6-hydroxy-2-methyl-5-oxo-6-[(2...
  12. Hemslecin A
    Cas Number: 58546-34-2        Compound CID:  181183
    Formula:  C32H50O8        Molecular Weight: 562.73
    IUPAC Name:  [(6R)-6-hydroxy-2-methyl-5-oxo-6-[(2S,3S,8S,9R,10R,13R,14S,16R,17R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrshow more
    SMILES:  CC(=O)OC(C)(C)CCC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(C4(C)C)O)O)C)C)C)O)O
    InChIKey: LKYNAQSYQLFTCM-GYXNDICUSA-N
    InChI:  InChI=1S/C32H50O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,19-2show more
    Synonyms: Q-100672 | [(6R)-6-hydroxy-2-methyl-5-oxo-6-[(2S,3S,8S,9R,10R,13R,14S,16R,17R)-2,3,16-trihydroxy-4,4,9,13,14-pentamet...
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