Summary

Molecular formula: C30H46O4
SMILES: OC(=O)CC[C@@]1(C)[C@@H](CCC2=C1CC[C@]1([C@@]2(C)CC[C@@H]1[C@H](C(=O)O)CCC=C(C)C)C)C(=C)C
InChI: InChI=1S/C30H46O4/c1-19(2)9-8-10-21(27(33)34)23-13-17-30(7)25-12-11-22(20(3)4)28(5,16-15-26(31)32)24(25)14-18-29(23,30)6/h9,21-23H,3,8,10-18H2,1-2,4-7H3,(H,31,32)(H,33,34)/t21-,22+,23-,28+,29-,30+/m1/s1
InChIKey: ZOQINMSKLIQAKX-XMWXQHOCSA-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:
pinicolic acid c

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External chemical identifiers:
CID_15894362; NPATLAS_NPA011108; CHEMSPIDER_10187855; ZINC_ZINC000034759971

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Chemical structure download