Summary

Molecular formula: C30H46O4
SMILES: CC(CCC[C@H](C1CC[C@@]2([C@]1(C)CC=C1C2=CCC([C@]1(C)CCC(=O)O)C(=C)C)C)C(=O)O)C
InChI: InChI=1S/C30H46O4/c1-19(2)9-8-10-21(27(33)34)23-13-17-30(7)25-12-11-22(20(3)4)28(5,16-15-26(31)32)24(25)14-18-29(23,30)6/h12,14,19,21-23H,3,8-11,13,15-18H2,1-2,4-7H3,(H,31,32)(H,33,34)/t21-,22?,23?,28+,29-,30+/m1/s1
InChIKey: FQIOHMWCTHCXFK-WWNWCZTASA-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

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Chemical structure download