Summary

Molecular formula: C31H44O7
SMILES: COC(=O)C(CC(=O)C[C@H](C1=CC(=O)[C@@]2([C@]1(C)CC(=O)C1=C2[C@@H](O)CC2[C@]1(C)CC[C@@H](C2(C)C)O)C)C)C
InChI: InChI=1S/C31H44O7/c1-16(11-18(32)12-17(2)27(37)38-8)19-13-24(36)31(7)26-20(33)14-22-28(3,4)23(35)9-10-29(22,5)25(26)21(34)15-30(19,31)6/h13,16-17,20,22-23,33,35H,9-12,14-15H2,1-8H3/t16-,17?,20+,22?,23+,29+,30-,31+/m1/s1
InChIKey: XCOZTXYRNZTFEU-AEWPQSQUSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2C=CC(=O)C2C2=C1C1CCCCC1CC2

Scaffold Graph/Node level:
OC1CCC2CC(O)C3C4CCCCC4CCC3C12

Scaffold Graph level:
CC1CCC2CC(C)C3C4CCCCC4CCC3C12

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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:
3b,7b-dihydroxy-11,15,23-trioxo-lanost-8,16-dien-26-oic acid methyl ester

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Chemical structure download