(1R,2R,4aS,6aR,6aS,6bR,10S,12aR,14bR)-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-(3-methylbutanoyloxy)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
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(1R,2R,4aS,6aR,6aS,6bR,10S,12aR,14bR)-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-(3-methylbutanoyloxy)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
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CAS No:
150853-96-6
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Formula:
C35H56O5
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Chemical Name:
(1R,2R,4aS,6aR,6aS,6bR,10S,12aR,14bR)-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-(3-methylbutanoyloxy)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
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Synonyms:
3-isovaleroyl-19-hydroxyursolic acid;lantaiursolic acid;150853-96-6;DTXSID70934106;3-Isovaleroyl-19-hydroxyursolic acid;(1R,2R,4aS,6aR,6aS,6bR,10S,12aR,14bR)-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-(3-methylbutanoyloxy)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid;19-Hydroxy-3-[(3-methylbutanoyl)oxy]urs-12-en-28-oic acid
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CAS No:
(1R,2R,4aS,6aR,6aS,6bR,10S,12aR,14bR)-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-(3-methylbutanoyloxy)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid Basic Attributes
556.8 g/mol
556.41277488 g/mol
Computed Properties
Molecular Weight:556.8
XLogP3:7.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:556.41277488
Monoisotopic Mass:556.41277488
Topological Polar Surface Area:83.8
Heavy Atom Count:40
Complexity:1090
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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