Summary

Molecular formula: C31H46O7
SMILES: COC(=O)[C@@H](CC(=O)C[C@H]([C@H]1C[C@@H]([C@@]2([C@]1(C)CC(=O)[C@H]1[C@H]2C(=O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)O)C)C
InChI: InChI=1S/C31H46O7/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/h16-17,19,22,24-26,36H,9-15H2,1-8H3/t16-,17-,19-,22+,24+,25+,26-,29+,30-,31+/m1/s1
InChIKey: ISCJOZQAUKSCCU-YSCGSIFPSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C(C1)CC(=O)C1C3CCCC3CC(=O)C21

Scaffold Graph/Node level:
OC1CCC2C(C1)CC(O)C1C3CCCC3CC(O)C21

Scaffold Graph level:
CC1CCC2C(C1)CC(C)C1C3CCCC3CC(C)C21

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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:
Methyl 8b,9 a -dihydroganoderate j, methyl 8b,9a-dihydroganoderic acid j

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External chemical identifiers:
CID_139583646; ZINC_ZINC000070455517

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Chemical structure download