Summary

Molecular formula: C30H44O5
SMILES: CC(=CCC(=O)[C@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2C(=O)C[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C(=O)O)C
InChI: InChI=1S/C30H44O5/c1-17(2)8-9-20(31)24(26(34)35)18-10-15-30(7)25-19(11-14-29(18,30)6)28(5)13-12-23(33)27(3,4)22(28)16-21(25)32/h8,18,22-24,33H,9-16H2,1-7H3,(H,34,35)/t18-,22+,23+,24+,28-,29-,30+/m1/s1
InChIKey: UXARIRCHQXWZIJ-MADYFLLRSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCCC2C2=C1C1CCCC1CC2

Scaffold Graph/Node level:
OC1CC2CCCCC2C2CCC3CCCC3C12

Scaffold Graph level:
CC1CC2CCCCC2C2CCC3CCCC3C12

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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-hydroxy-7,22-dioxo-5α-lanosta-8,24-dien-21-oic acid

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Chemical structure download