Summary

Molecular formula: C34H54O6
SMILES: CC(=O)O[C@@H]([C@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@@]1([C@H]2CC=C2[C@H]1CCC(=O)C2(C)C)C)C)C)C[C@H](C(O)(C)C)OC(=O)C
InChI: InChI=1S/C34H54O6/c1-20(26(39-21(2)35)19-29(31(6,7)38)40-22(3)36)23-15-16-34(10)27-13-11-24-25(12-14-28(37)30(24,4)5)32(27,8)17-18-33(23,34)9/h11,20,23,25-27,29,38H,12-19H2,1-10H3/t20-,23+,25+,26+,27+,29+,32-,33+,34-/m0/s1
InChIKey: FPMMXOUBTPOZNW-SPYCCOATSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C(=CCC3C4CCCC4CCC23)C1

Scaffold Graph/Node level:
OC1CCC2C(CCC3C4CCCC4CCC23)C1

Scaffold Graph level:
CC1CCC2C(CCC3C4CCCC4CCC23)C1

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Steroids and steroid derivatives
Sub class: Cucurbitacins

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Synonymous chemical names:
18-deoxyleucopaxillone a

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External chemical identifiers:
CID_16099538; NPATLAS_NPA012594; CHEMSPIDER_17257447; ZINC_ZINC000060044897

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Chemical structure download