Summary

Molecular formula: C31H46O5
SMILES: OC(=O)CC[C@@]1(C)[C@@H](CC=C2C1=CC[C@]1([C@@]2(C)CC[C@@H]1C(C(=O)O)CCC(=C)C(O)(C)C)C)C(=C)C
InChI: InChI=1S/C31H46O5/c1-19(2)22-11-12-25-24(29(22,6)16-15-26(32)33)14-18-30(7)23(13-17-31(25,30)8)21(27(34)35)10-9-20(3)28(4,5)36/h12,14,21-23,36H,1,3,9-11,13,15-18H2,2,4-8H3,(H,32,33)(H,34,35)/t21?,22-,23+,29-,30+,31-/m0/s1
InChIKey: HHZQHKPGFJOQSU-MOLUDBHFSA-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:
25-hydroxyporicoic acid c

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External chemical identifiers:
CID_44556811; NPATLAS_NPA019670; CHEMSPIDER_24655711

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Chemical structure download