Summary

SMILES: COC(=O)C([C@@H]1[C@]2(C)[C@H](CC(=O)C1(C)C)O[C@@]13C(=C)[C@@H]2CC[C@@]3(C)[C@H](OC(=O)C1)c1cocc1)O
InChI: InChI=1S/C27H34O8/c1-14-16-7-9-25(4)22(15-8-10-33-13-15)34-19(29)12-27(14,25)35-18-11-17(28)24(2,3)21(26(16,18)5)20(30)23(31)32-6/h8,10,13,16,18,20-22,30H,1,7,9,11-12H2,2-6H3/t16-,18-,20?,21-,22+,25-,26-,27+/m0/s1
InChIKey: GOYZKWCPWBKPIG-OSEAVKMZSA-N
DeepSMILES: COC=O)C[C@@H][C@]C)[C@H]CC=O)C6C)C))))O[C@]C=C)[C@@H]6CC[C@@]6C)[C@H]OC=O)C%10)))ccocc5))))))))))))))))O
Scaffold Graph/Node/Bond level: C=C1C2CCC3C(c4ccoc4)OC(=O)CC13OC1CC(=O)CCC12
Scaffold Graph/Node level: CC1C2CCC3C(C4CCOC4)OC(O)CC13OC1CC(O)CCC12
Scaffold Graph level: CC1CCC2C(C1)CC13CC(C)CC(C4CCCC4)C1CCC2C3C
Functional groups: C=C(C)C; CC(=O)OC; CC(C)=O; CO; COC; COC(C)=O; coc

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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: Limonoids

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Synonymous chemical names:
17-epi-methyl-6-hydroxyangolensate

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External chemical identifiers:
CID:44577475; ChEMBL:CHEMBL513679

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Chemical structure download