Chem
J-GLOBAL ID：200907068786043585   Nikkaji number：J451.654K

13-Hydroxykaur-16-en-18-oic acid β-D-glucopyranosyl ester

13-ヒドロキシカウラ-16-エン-18-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： C26H40O8
Molecular formula furigana： C26-H40-O8
Molecular weight： 480.598
InChI： InChI=1S/C26H40O8/c1-14-11-25-9-5-16-23(2,17(25)6-10-26(14,32)13-25)7-4-8-24(16,3)22(31)34-21-20(30)19(29)18(28)15(12-27)33-21/h15-21,27-30,32H,1,4-13H2,2-3H3/t15-,16+,17+,18-,19+,20-,21+,23-,24-,25-,26+/m1/s1
InChI key： OQPOFZJZPYRNFF-CULFPKEHSA-N
SMILES： C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13CC(=C)[C@@](O)(C1)CC[C@@H]23)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 13-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,9S,10R,13S)-13-ヒドロキシ-5,9-ジメチル-14-メチリデンテトラシクロ[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,9S,10R,13S)-13-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
Other name (1)：
  • 13-Hydroxykaur-16-en-18-oic acid β-D-glucopyranosyl ester
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