Chem
J-GLOBAL ID：201107013057848017   Nikkaji number：J2.936.107J

ent-6α,9α-Dihydroxy-15-oxo-16-kauren-19-oic acid β-D-glucopyranosyl ester

ent-6α,9α-ジヒドロキシ-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： C26H38O10
Molecular formula furigana： C26-H38-O10
Molecular weight： 510.580
InChI： InChI=1S/C26H38O10/c1-12-13-5-8-26(34)24(3)7-4-6-23(2,19(24)14(28)10-25(26,9-13)20(12)32)22(33)36-21-18(31)17(30)16(29)15(11-27)35-21/h13-19,21,27-31,34H,1,4-11H2,2-3H3/t13-,14-,15+,16+,17-,18+,19+,21-,23+,24+,25+,26-/m0/s1
InChI key： NRUSGLWZCNYPPQ-MJOUBMTJSA-N
SMILES： C[C@]1(CCC[C@]2(C)[C@@H]1[C@@H](O)C[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-6α,9α-ジヒドロキシカウラ-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 (1S,3S,4S,5R,9R,10S,13S)-3,10-ジヒドロキシ-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 (1S,3S,4S,5R,9R,10S,13S)-3,10-dihydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
Other name (3)：
  • (13S)-15-Oxo-6α,9α-dihydroxykaura-16-ene-18-oic acid β-D-glucopyranosyl ester
  • ent-6α,9α-ジヒドロキシ-15-オキソ-16-カウレン-19-酸β-D-グルコピラノシル
  • ent-6α,9α-Dihydroxy-15-oxo-16-kauren-19-oic acid β-D-glucopyranosyl ester
Thsaurus map：
Thesaurus Map

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