Chem
J-GLOBAL ID：201107085188153945   Nikkaji number：J2.936.106A

ent-9α-Hydroxy-15-oxo-16-kauren-19-oic acid β-D-glucopyranosyl ester

ent-9α-ヒドロキシ-15-オキソ-16-カウレン-19-酸β-D-グルコピラノシル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C26H38O9
Molecular formula furigana： C26-H38-O9
Molecular weight： 494.581
InChI： InChI=1S/C26H38O9/c1-13-14-5-10-26(33)24(3)8-4-7-23(2,16(24)6-9-25(26,11-14)20(13)31)22(32)35-21-19(30)18(29)17(28)15(12-27)34-21/h14-19,21,27-30,33H,1,4-12H2,2-3H3/t14-,15+,16+,17+,18-,19+,21-,23+,24+,25-,26-/m0/s1
InChI key： PKAGWWDWHSCPAS-SEARRQKDSA-N
SMILES： C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@]21O)C(=C)C3=O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • (13S)-15-オキソ-9α-ヒドロキシカウラ-16-エン-18-酸β-D-グルコピラノシル
  • (2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル (1R,4S,5R,9R,10S,13S)-10-ヒドロキシ-5,9-ジメチル-14-メチリデン-15-オキソテトラシクロ[11.2.1.01,10.04,9]ヘキサデカン-5-カルボキシラート
  • (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,4S,5R,9R,10S,13S)-10-hydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
Other name (3)：
  • (13S)-15-Oxo-9α-hydroxykaura-16-ene-18-oic acid β-D-glucopyranosyl ester
  • ent-9α-ヒドロキシ-15-オキソ-16-カウレン-19-酸β-D-グルコピラノシル
  • ent-9α-Hydroxy-15-oxo-16-kauren-19-oic acid β-D-glucopyranosyl ester
Thsaurus map：
Thesaurus Map

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