Summary

Molecular formula: C33H52O5
SMILES: CC(=O)O[C@@H]1CC[C@]2([C@H](C1(C)C)CCC1=C2CC[C@]2([C@@]1(C)C[C@H]([C@@H]2[C@@H](C(=O)O)CCC(=C)C(C)C)O)C)C
InChI: InChI=1S/C33H52O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(35)18-33(9)24-12-13-26-30(5,6)27(38-21(4)34)15-16-31(26,7)23(24)14-17-32(28,33)8/h19,22,25-28,35H,3,10-18H2,1-2,4-9H3,(H,36,37)/t22-,25+,26-,27+,28-,31+,32+,33-/m0/s1
InChIKey: VDYCLYGKCGVBHN-FOWHHFFXSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C3=C(CCC2C1)C1CCCC1CC3

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Prenol lipids
Sub class: Triterpenoids

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Synonymous chemical names:
3-epipachymic acid, 3a-acetoxy-16a-hydroxy-24-methylene-5a-lanost-8-en-21-oic acid(3-epipachymic acid)

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External chemical identifiers:
CID_139586524; NPATLAS_NPA012315; CHEMSPIDER_78441211

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Chemical structure download