Summary

Molecular formula: C37H58O8
SMILES: OC[C@@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2CC[C@@H]2[C@]1(C)CC[C@H](C2(C)C)OC(=O)C[C@](CC(=O)O)(O)C)C)CCC(=C)[C@@H](C(=O)O)C
InChI: InChI=1S/C37H58O8/c1-22(23(2)32(42)43)9-10-24(21-38)25-13-17-37(8)27-11-12-28-33(3,4)29(45-31(41)20-34(5,44)19-30(39)40)15-16-35(28,6)26(27)14-18-36(25,37)7/h23-25,28-29,38,44H,1,9-21H2,2-8H3,(H,39,40)(H,42,43)/t23-,24-,25+,28-,29+,34-,35+,36+,37-/m0/s1
InChIKey: WOAOVYIRRFOGFW-VSJVDYLKSA-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:
palustrisoic acid e

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External chemical identifiers:
CID_139590981; NPATLAS_NPA023728; CHEMSPIDER_78442199

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Chemical structure download