Summary

Molecular formula: C33H48O5
SMILES: CC(=O)O[C@@H]1C[C@@]2([C@]([C@H]1[C@H](C(=O)O)CCC(=C)C(C)C)(C)CC=C1C2=CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C
InChI: InChI=1S/C33H48O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(38-21(4)34)18-33(9)24-12-13-26-30(5,6)27(35)15-16-31(26,7)23(24)14-17-32(28,33)8/h12,14,19,22,25-26,28H,3,10-11,13,15-18H2,1-2,4-9H3,(H,36,37)/t22-,25-,26+,28+,31-,32-,33+/m1/s1
InChIKey: FPLFOXNTFUNRIC-SJXZRTDNSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C3=CCC4CCCC4C3=CCC2C1

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: Ergostane steroids

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Synonymous chemical names:
16-o-acetylpolyporenic acid c

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External chemical identifiers:
NPATLAS_NPA006673; CHEMSPIDER_16384; ZINC_ZINC000085602287

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Chemical structure download