Summary

Molecular formula: C31H46O5
SMILES: OC(=O)CC[C@@]1(C)[C@@H](C=CC2=C1CC[C@]1([C@@]2(C)C[C@H]([C@@H]1C(C(=O)O)CCC(=C)C(C)C)O)C)C(=C)C
InChI: InChI=1S/C31H46O5/c1-18(2)20(5)9-10-21(28(35)36)27-25(32)17-31(8)24-12-11-22(19(3)4)29(6,15-14-26(33)34)23(24)13-16-30(27,31)7/h11-12,18,21-22,25,27,32H,3,5,9-10,13-17H2,1-2,4,6-8H3,(H,33,34)(H,35,36)/t21?,22-,25+,27-,29-,30+,31-/m0/s1
InChIKey: HYCQUZBUDTVVSJ-KGXQETAESA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2=C(CC1)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:
6,7-dehydroporicoic acid h

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External chemical identifiers:
CID_44556878; NPATLAS_NPA018223; CHEMSPIDER_24655741

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Chemical structure download