Summary

Molecular formula: C31H48O4
SMILES: OC(=O)CC[C@@]1(C)[C@@H](CCC2=C1CC[C@]1([C@@]2(C)CCC1[C@H](C(=O)O)CCC(=C)C(C)C)C)C(=C)C
InChI: InChI=1S/C31H48O4/c1-19(2)21(5)9-10-22(28(34)35)24-13-17-31(8)26-12-11-23(20(3)4)29(6,16-15-27(32)33)25(26)14-18-30(24,31)7/h19,22-24H,3,5,9-18H2,1-2,4,6-8H3,(H,32,33)(H,34,35)/t22-,23+,24?,29+,30-,31+/m1/s1
InChIKey: LLMXBZDIOIJCEF-GOCHJLPOSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2=C(C1)CCC1CCCC21

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1CCCC12

Scaffold Graph level:
C1CCC2C(C1)CCC1CCCC12

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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:
piptolinic acid b

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External chemical identifiers:
CID_139590867; NPATLAS_NPA023610; CHEMSPIDER_78442164

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Chemical structure download