Madecassic acid

(1S,2R,4aS,6aR,6aS,6bR,8R,8aR,9R,10R,11R,12aR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid

CAS: 18449-41-7

Molecular Formula	`C30H48O6`
Molecular Weight	504.7 g/mol
LogP	4.4
Topological Polar Surface Area	118.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	6
Rotatable Bonds	2
Exact Mass	504.3451
Heavy Atoms	36
Complexity	963.0

Chemical Identifiers

CAS Number	18449-41-7
SMILES	`CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(CC(C(C5(C)CO)O)O)C)O)C)C2C1C)C)C(=O)O`
InChIKey	`PRAUVHZJPXOEIF-AOLYGAPISA-N`

📖 Product Overview

Madecassic acid (CAS: 18449-41-7) is a chemical compound with molecular formula C30H48O6 and molecular weight 504.7 g/mol. Its IUPAC systematic name is (1S,2R,4aS,6aR,6aS,6bR,8R,8aR,9R,10R,11R,12aR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid. LogP 4.4 Topological Polar Surface Area 118.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 6 Rotatable Bonds 2 Exact Mass 504.3451 Heavy Atoms 36 Complexity 963.0 InChI Key: PRAUVHZJPXOEIF-AOLYGAPISA-N. SMILES: CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(CC(C(C5(C)CO)O)O)C)O)C)C2C1C)C)C(=O)O.

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