Summary

Molecular formula: C32H42O6
SMILES: CC(=O)O[C@H]1C[C@@]2([C@]([C@H]1[C@@H](C[C@H]1C=C(C(=O)O1)C)C)(C)CC(=O)C1=C2CC[C@@H]2[C@]1(C)C=CC(=O)C2(C)C)C
InChI: InChI=1S/C32H42O6/c1-17(13-20-14-18(2)28(36)38-20)26-23(37-19(3)33)16-31(7)21-9-10-24-29(4,5)25(35)11-12-30(24,6)27(21)22(34)15-32(26,31)8/h11-12,14,17,20,23-24,26H,9-10,13,15-16H2,1-8H3/t17-,20+,23+,24+,26+,30+,31+,32-/m1/s1
InChIKey: FCOHRICIHWBLBL-IHBQTOFZSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC2C3=C(CCC2C1)C1CCC(CCC2C=CC(=O)O2)C1CC3=O

Scaffold Graph/Node level:
OC1CCC2C(CCC3C4CCC(CCC5CCC(O)O5)C4CC(O)C23)C1

Scaffold Graph level:
CC1CCC(CCC2CCC3C2CC(C)C2C4CCC(C)CC4CCC32)C1

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Chemical classification

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

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Synonymous chemical names:
lepiotaprocerin k

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External chemical identifiers:
NPATLAS_NPA027974

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Chemical structure download