Summary

Molecular formula: C31H46O6
SMILES: COC(=O)CC[C@@]1(C)C(CC=C2C1=CC[C@]1([C@@]2(C)C[C@H]([C@@H]1C(C(=O)O)CC/C=C(CO)/C)O)C)C(=C)C
InChI: InChI=1S/C31H46O6/c1-19(2)22-11-12-24-23(29(22,4)15-14-26(34)37-7)13-16-30(5)27(25(33)17-31(24,30)6)21(28(35)36)10-8-9-20(3)18-32/h9,12-13,21-22,25,27,32-33H,1,8,10-11,14-18H2,2-7H3,(H,35,36)/b20-9-/t21?,22?,25-,27+,29+,30-,31+/m1/s1
InChIKey: OPDCNCKCFNXEMG-BOCBPPTNSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCC=C2C2CCCC2C1

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:
3-o-acetyldehydroeburicoic acid

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External chemical identifiers:
CID_139586183; NPATLAS_NPA011132; CHEMSPIDER_57619883

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Chemical structure download