Summary

SMILES: O[C@@H]1C[C@@]2(C)[C@H]([C@@]([C@H]1O)(C)C(=O)O)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2[C@@H](C)[C@@](C)(O)CC1)C(=O)O)C
InChI: InChI=1S/C30H46O7/c1-16-21-17-7-8-19-25(2)15-18(31)22(32)29(6,23(33)34)20(25)9-10-27(19,4)26(17,3)11-13-30(21,24(35)36)14-12-28(16,5)37/h7,16,18-22,31-32,37H,8-15H2,1-6H3,(H,33,34)(H,35,36)/t16-,18-,19-,20-,21+,22+,25-,26-,27-,28+,29-,30-/m1/s1
InChIKey: ZMWXJWXIYVFLNS-BGONSWKCSA-N
DeepSMILES: O[C@@H]C[C@@]C)[C@H][C@@][C@H]6O))C)C=O)O)))CC[C@@][C@@H]6CC=C[C@@]6C)CC[C@@][C@H]6[C@@H]C)[C@@]C)O)CC6)))))C=O)O))))))))))C
Scaffold Graph/Node/Bond level: C1=C2C3CCCCC3CCC2C2CCC3CCCCC3C2C1
Scaffold Graph/Node level: C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21
Scaffold Graph level: C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21
Functional groups: CC(=O)O; CC=C(C)C; CO

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Chemical classification

ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lipids and lipid-like molecules
ClassyFire Class: Prenol lipids
ClassyFire Subclass: Triterpenoids
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Triterpenoids
NP Classifier Class: Ursane and Taraxastane triterpenoids

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Synonymous chemical names:
cordepressic acid

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External chemical identifiers:
CID:101607226

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Chemical structure download