Summary

Molecular formula: C30H44O5
SMILES: O[C@H](/C=C(/C(=O)O)C)C[C@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2C(=O)CC2[C@]1(C)CCC(=O)C2(C)C)C)C
InChI: InChI=1S/C30H44O5/c1-17(14-19(31)15-18(2)26(34)35)20-8-13-30(7)25-21(9-12-29(20,30)6)28(5)11-10-24(33)27(3,4)23(28)16-22(25)32/h15,17,19-20,23,31H,8-14,16H2,1-7H3,(H,34,35)/b18-15+/t17-,19+,20-,23?,28-,29-,30+/m1/s1
InChIKey: WCPRSKXCWMBEHO-DLDLXSDHSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C3=C(C(=O)CC2C1)C1CCCC1CC3

Scaffold Graph/Node level:
OC1CCC2C(C1)CC(O)C1C3CCCC3CCC21

Scaffold Graph level:
CC1CCC2C(C1)CC(C)C1C3CCCC3CCC21

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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:
hainanic acid a

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External chemical identifiers:
CID_139585452; NPATLAS_NPA008434; CHEMSPIDER_78442029

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Chemical structure download