(1S,2R,4aR,6aR,6aR,6bR,10S,12aR,14bS)-10-hydroxy-1,2,4a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid
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(1S,2R,4aR,6aR,6aR,6bR,10S,12aR,14bS)-10-hydroxy-1,2,4a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid
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CAS No:
24778-49-2
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Formula:
C30H48O3
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Chemical Name:
(1S,2R,4aR,6aR,6aR,6bR,10S,12aR,14bS)-10-hydroxy-1,2,4a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid
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Synonyms:
3-hydroxyurs-12-en-27-oic acid;alpha-peltoboykinolic acid;24778-49-2;3beta-hydroxyurs-12-en-27-oic acid;DTXSID00947688;3-hydroxyurs-12-en-27-oic acid
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CAS No:
(1S,2R,4aR,6aR,6aR,6bR,10S,12aR,14bS)-10-hydroxy-1,2,4a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid Basic Attributes
456.7 g/mol
456.36034539 g/mol
Computed Properties
Molecular Weight:456.7
XLogP3:7.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:456.36034539
Monoisotopic Mass:456.36034539
Topological Polar Surface Area:57.5
Heavy Atom Count:33
Complexity:874
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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