Summary

Molecular formula: C38H52O6
SMILES: Oc1ccc(cc1)C(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC=C1C2=CC[C@]2([C@@]1(C)C[C@H]([C@@H]2C(C(=O)O)CCC(=C)C(C)C)O)C)C
InChI: InChI=1S/C38H52O6/c1-22(2)23(3)9-14-26(33(41)42)32-29(40)21-38(8)28-15-16-30-35(4,5)31(44-34(43)24-10-12-25(39)13-11-24)18-19-36(30,6)27(28)17-20-37(32,38)7/h10-13,15,17,22,26,29-32,39-40H,3,9,14,16,18-21H2,1-2,4-8H3,(H,41,42)/t26?,29-,30+,31+,32+,36-,37-,38+/m1/s1
InChIKey: BMRXKURCHPMXTP-JCOGVSKUSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(OC1CCC2C3=CCC4CCCC4C3=CCC2C1)c1ccccc1

Scaffold Graph/Node level:
OC(OC1CCC2C(CCC3C4CCCC4CCC23)C1)C1CCCCC1

Scaffold Graph level:
CC(CC1CCC2C(CCC3C4CCCC4CCC23)C1)C1CCCCC1

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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:
3β-p-hydroxybenzoyldehydrotumulosic acid

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Chemical structure download