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)C[C@@H]1C3=C2CC[C@@H]2[C@]3(C)C(=CC(=O)C2(C)C)O1)C
InChI: InChI=1S/C32H42O6/c1-16(11-19-12-17(2)28(35)37-19)26-21(36-18(3)33)14-30(6)20-9-10-23-29(4,5)24(34)13-25-32(23,8)27(20)22(38-25)15-31(26,30)7/h12-13,16,19,21-23,26H,9-11,14-15H2,1-8H3/t16-,19+,21+,22-,23+,26+,30+,31-,32-/m1/s1
InChIKey: NVPYGXLXWVWRLY-SHCRWBOPSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2OC3CC4C(CCC5C=CC(=O)O5)CCC4C4=C3C2C(CC4)C1

Scaffold Graph/Node level:
OC1CC2CCC3C4CCC(CCC5CCC(O)O5)C4CC4OC(C1)C2C43

Scaffold Graph level:
CC1CCC(CCC2CCC3C2CC2CC4CC(C)CC5CCC3C2C54)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 e

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External chemical identifiers:
NPATLAS_NPA027980

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Chemical structure download