Summary

Molecular formula: C31H50O4
SMILES: OC(=O)[C@@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2CC[C@@H]2[C@]1(C)CC[C@H](C2(C)C)O)C)CCC(=C)C(O)(C)C
InChI: InChI=1S/C31H50O4/c1-19(28(4,5)35)9-10-20(26(33)34)21-13-17-31(8)23-11-12-24-27(2,3)25(32)15-16-29(24,6)22(23)14-18-30(21,31)7/h20-21,24-25,32,35H,1,9-18H2,2-8H3,(H,33,34)/t20-,21-,24+,25-,29-,30-,31+/m1/s1
InChIKey: DZPUCNLUXQSVQK-SXHVIGTBSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C3=C(CCC2C1)C1CCCC1CC3

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

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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-hydroxy-3-epitumulosic acid

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External chemical identifiers:
NPATLAS_NPA003774; CHEMSPIDER_78436676; ZINC_ZINC000048998529

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Chemical structure download