Summary

Molecular formula: C33H46O9
SMILES: COC(=O)C(CC(=O)C[C@H](C1=CC(=O)[C@@]2([C@]1(C)[C@H](OC(=O)C)C(=O)C1=C2[C@@H](O)CC2[C@]1(C)CC[C@@H](C2(C)C)O)C)C)C
InChI: InChI=1S/C33H46O9/c1-16(12-19(35)13-17(2)29(40)41-9)20-14-24(38)33(8)25-21(36)15-22-30(4,5)23(37)10-11-31(22,6)26(25)27(39)28(32(20,33)7)42-18(3)34/h14,16-17,21-23,28,36-37H,10-13,15H2,1-9H3/t16-,17?,21+,22?,23+,28-,31+,32+,33+/m1/s1
InChIKey: GQKGKJKALUUAHP-NNTVZRGMSA-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-12b-acetoxy-11,15,23-trioxo-5 a -lanosta-8-en-26-oic acid methyl ester

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Chemical structure download