(1S,2R,4aS,6aS,6aS,6bR,10S,12R,12aR,14bR)-10,12-dihydroxy-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,6aS,6aS,6bR,10S,12R,12aR,14bR)-10,12-dihydroxy-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:
107693-87-8
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Formula:
C30H48O4
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Chemical Name:
(1S,2R,4aS,6aS,6aS,6bR,10S,12R,12aR,14bR)-10,12-dihydroxy-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:
Kaneric acid;107693-87-8;( )-Kaneric acid;1beta,3beta-Dihydroxyurs-12-en-28-oic acid;DTXSID00910493;Urs-12-en-28-oic acid, 1,3-dihydroxy-, (1beta,3beta)-;1,3-Dihydroxyurs-12-en-28-oic acid;(1S,2R,4aS,6aS,6aS,6bR,10S,12R,12aR,14bR)-10,12-dihydroxy-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:
(1S,2R,4aS,6aS,6aS,6bR,10S,12R,12aR,14bR)-10,12-dihydroxy-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
472.7 g/mol
472.35526001 g/mol
Computed Properties
Molecular Weight:472.7
XLogP3:6.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:472.35526001
Monoisotopic Mass:472.35526001
Topological Polar Surface Area:77.8
Heavy Atom Count:34
Complexity:908
Defined Atom Stereocenter Count:10
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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