Summary

Molecular formula: C31H48O6
SMILES: OC(=O)CC[C@@]1(C)[C@@H](CCC2=C1CC[C@]1([C@@]2(C)C[C@H]([C@@H]1C(C(=O)O)CCC(=C)C(O)(C)C)O)C)C(=C)C
InChI: InChI=1S/C31H48O6/c1-18(2)21-11-12-23-22(29(21,6)15-14-25(33)34)13-16-30(7)26(24(32)17-31(23,30)8)20(27(35)36)10-9-19(3)28(4,5)37/h20-21,24,26,32,37H,1,3,9-17H2,2,4-8H3,(H,33,34)(H,35,36)/t20?,21-,24+,26-,29-,30+,31-/m0/s1
InChIKey: ZUQVIKQNZXSXML-OHUXFVNZSA-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:
25-hydroxyporicoic acid h

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External chemical identifiers:
CID_16736865; NPATLAS_NPA017468; CHEMSPIDER_20568306

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Chemical structure download