Medicagenic acid

(2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid

CAS: 599-07-5

Molecular Formula	`C30H46O6`
Molecular Weight	502.7 g/mol
LogP	5.8
Topological Polar Surface Area	115.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	6
Rotatable Bonds	2
Exact Mass	502.32944
Heavy Atoms	36
Complexity	1020.0

Chemical Identifiers

CAS Number	599-07-5
SMILES	`CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)O)O)C)C)C2C1)C)C(=O)O)C`
InChIKey	`IDGXIXSKISLYAC-WNTKNEGGSA-N`

📖 Product Overview

Medicagenic acid (CAS: 599-07-5) is a chemical compound with molecular formula C30H46O6 and molecular weight 502.7 g/mol. Its IUPAC systematic name is (2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid. LogP 5.8 Topological Polar Surface Area 115.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 6 Rotatable Bonds 2 Exact Mass 502.32944 Heavy Atoms 36 Complexity 1020.0 InChI Key: IDGXIXSKISLYAC-WNTKNEGGSA-N. SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)O)O)C)C)C2C1)C)C(=O)O)C.

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