Summary

Molecular formula: C30H44O4
SMILES: CC(=CCC[C@H]([C@H]1C(=O)C[C@@]2([C@]1(C)CCC1=C2CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C(=O)O)C
InChI: InChI=1S/C30H44O4/c1-18(2)9-8-10-19(26(33)34)25-22(31)17-30(7)21-11-12-23-27(3,4)24(32)14-15-28(23,5)20(21)13-16-29(25,30)6/h9,19,23,25H,8,10-17H2,1-7H3,(H,33,34)/t19-,23+,25+,28-,29-,30+/m1/s1
InChIKey: RWQINIOQZXZDGZ-JLPRQSABSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C3=C(CCC2C1)C1CC(=O)CC1CC3

Scaffold Graph/Node level:
OC1CCC2C(CCC3C4CC(O)CC4CCC23)C1

Scaffold Graph level:
CC1CCC2C(CCC3C4CC(C)CC4CCC23)C1

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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:
pinicolic acid b

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External chemical identifiers:
CID_15894361; NPATLAS_NPA005024; CHEMSPIDER_10187854

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Chemical structure download