Olean-12-en-30-oic acid, 3-beta-hydroxy-, hydrogen maleate (ester), sodium salt structure

Olean-12-en-30-oic acid, 3-beta-hydroxy-, hydrogen maleate (ester), sodium salt

disodium;(2R,4aS,6aS,6bR,10S,12aR,14bS)-10-[(E)-3-carboxylatoprop-2-enoyl]oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylate

Also Known As: 11-Deoxoglycyrrhetinic acid hydrogen maleate sodium salt|Olean-12-en-30-oic acid, 3-beta-hydroxy-, hydrogen maleate (ester), sodium salt|disodium (2R,4aS,6aS,6bR,10S,12aR,14bS)-2,4a,6a,6b,9,9,12a-heptamethyl-10-[(E)-4-oxido-4-oxobut-2-enoyl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylate

CAS: 85559-57-5
Molecular Formula C34H48Na2O6
Molecular Weight 598.32465 g/mol
LogP -1.2361
Topological Polar Surface Area 106.56 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
Rotatable Bonds 4
Exact Mass 598.32465
Monoisotopic Mass 598.32465
Heavy Atoms 42
Complexity 1178.5273

Chemical Identifiers

CAS Number 85559-57-5
SMILES C[C@]12CC[C@@](C[C@@H]1C3=CCC4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)/C=C/C(=O)[O-])C)(C)C(=O)[O-].[Na+].[Na+]

Product Overview

Olean-12-en-30-oic acid, 3-beta-hydroxy-, hydrogen maleate (ester), sodium salt (CAS 85559-57-5), with molecular formula C34H48Na2O6 and molecular weight 598.32465 g/mol. IUPAC: disodium;(2R,4aS,6aS,6bR,10S,12aR,14bS)-10-[(E)-3-carboxylatoprop-2-enoyl]oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylate.

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