(2S,3R,4aS,6aR,6aS,6bR,9S,10S,12aR,14bS)-3,10-dihydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
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(2S,3R,4aS,6aR,6aS,6bR,9S,10S,12aR,14bS)-3,10-dihydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
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CAS No:
131177-50-9
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Formula:
C30H48O5
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Chemical Name:
(2S,3R,4aS,6aR,6aS,6bR,9S,10S,12aR,14bS)-3,10-dihydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
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Synonyms:
3 beta,21 alpha,24-trihydroxyolean-12-en-30-oic acid;glyyunnansapogenin B;Glyyunnansapogenin B;131177-50-9;3beta,21alpha,24-Trihydroxyolean-12-en-30-oic acid;DTXSID00927107;CHEBI:173141;(2S,3R,4aS,6aR,6aS,6bR,9S,10S,12aR,14bS)-3,10-dihydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid;3,21,23-Trihydroxyolean-12-en-29-oic acid;Olean-12-en-29-oic acid, 3,21,23-trihydroxy-, (3beta,4beta,20beta,21alpha)-
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CAS No:
(2S,3R,4aS,6aR,6aS,6bR,9S,10S,12aR,14bS)-3,10-dihydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid Basic Attributes
488.7 g/mol
488.35017463 g/mol
Computed Properties
Molecular Weight:488.7
XLogP3:6.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:488.35017463
Monoisotopic Mass:488.35017463
Topological Polar Surface Area:98
Heavy Atom Count:35
Complexity:945
Defined Atom Stereocenter Count:10
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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