Summary

Molecular formula: C31H48O4
SMILES: COC(=O)CC[C@@]1(C)C(CC=C2C1=CC[C@]1([C@@]2(C)CCC1[C@H](C(=O)O)CCCC(C)C)C)C(=C)C
InChI: InChI=1S/C31H48O4/c1-20(2)10-9-11-22(28(33)34)24-14-18-31(7)26-13-12-23(21(3)4)29(5,17-16-27(32)35-8)25(26)15-19-30(24,31)6/h13,15,20,22-24H,3,9-12,14,16-19H2,1-2,4-8H3,(H,33,34)/t22-,23?,24?,29+,30-,31+/m1/s1
InChIKey: KCIDHUPJZNPPCG-UICWAMSISA-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:
3,4-seco-5β-lanosta-7,9(11),4(29)-trien-3,21-dioic acid-3-methyl ester

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Chemical structure download