Chem
J-GLOBAL ID：200907007890086017   Nikkaji number：J955.241C

Calanthoside

カラントシド
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： C20H27NO11S
Molecular formula furigana： C20-H27-N-O11-S
Molecular weight： 489.490
InChI： InChI=1S/C20H27NO11S/c22-5-9-11(24)13(26)15(28)19(30-9)32-17-7-3-1-2-4-8(7)21-18(17)33-20-16(29)14(27)12(25)10(6-23)31-20/h1-4,9-16,19-29H,5-6H2/t9-,10-,11-,12-,13+,14+,15-,16-,19+,20+/m1/s1
InChI key： RPMOMKUYGKLDSQ-SHJINENGSA-N
SMILES： OC[C@H]1O[C@@H](Oc2c(S[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[nH]c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 2-(β-D-グルコピラノシルチオ)-1H-インドール-3-イルβ-D-グルコピラノシド
  • (2R,3S,4S,5R,6S)-2-(ヒドロキシメチル)-6-[(2-{[(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]スルファニル}-1H-インドール-3-イル)オキシ]オキサン-3,4,5-トリオール
  • (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}-1H-indol-3-yl)oxy]oxane-3,4,5-triol
Other name (3)：
  • 2-(β-D-Glucopyranosylthio)-1H-indole-3-yl β-D-glucopyranoside
  • カラントシド
  • Calanthoside
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