(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-(3-carboxypropanoyloxy)-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
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(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-(3-carboxypropanoyloxy)-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
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CAS No:
54717-85-0
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Formula:
C34H52O6
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Chemical Name:
(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-(3-carboxypropanoyloxy)-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
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Synonyms:
CHEMBL508934;Succinyl ursolic acid;3-O-Succinyl-ursolic acid;54717-85-0;BDBM50346611;ZINC42835337;AKOS016036372;Urs-12-en-28-oic acid,3-(3-carboxy-1-oxopropoxy)-,(3b)- (9CI);(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-(3-carboxypropanoyloxy)-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid;(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-(4-hydroxy-4-oxo-butanoyl)oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid;Succinic acid mono-((3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,12,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-eicosahydro-picen-3-yl) ester
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CAS No:
(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-(3-carboxypropanoyloxy)-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid Basic Attributes
556.8 g/mol
556.37638937 g/mol
Computed Properties
Molecular Weight:556.8
XLogP3:7.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:556.37638937
Monoisotopic Mass:556.37638937
Topological Polar Surface Area:101
Heavy Atom Count:40
Complexity:1110
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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