Chem
J-GLOBAL ID:200907078425619658   Nikkaji number:J937.210E

Crescentoside C

クレセントシドC
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: C15H22O9
Molecular formula furigana: C15-H22-O9
Molecular weight: 346.332
InChI: InChI=1S/C15H22O9/c16-4-7-10(17)11(18)12(19)15(21-7)24-14-9-5-1-2-6(9)13(20)22-8(3-5)23-14/h1-2,5-20H,3-4H2/t5-,6+,7-,8+,9+,10-,11+,12-,13+,14+,15+/m1/s1
InChI key: HTIXTMCVEPUQLH-OZZNEHQZSA-N
SMILES: OC[C@H]1O[C@@H](O[C@@H]2O[C@H]3C[C@H]4C=C[C@@H]([C@@H]24)[C@@H](O)O3)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3):
  • [(1S,3S,5aS)-5α-ヒドロキシ-5,5a,8,8aβ-テトラヒドロ-3,8α-メタノ-1H-シクロペンタ[e][1,3]ジオキセピン]-1-イルβ-D-グルコピラノシド
  • (2S,3R,4S,5S,6R)-2-{[(1S,3S,4S,7S,8S,9S)-3-ヒドロキシ-2,10-ジオキサトリシクロ[5.3.1.04,8]ウンデカ-5-エン-9-イル]オキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2S,3R,4S,5S,6R)-2-{[(1S,3S,4S,7S,8S,9S)-3-hydroxy-2,10-dioxatricyclo[5.3.1.04,8]undec-5-en-9-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3):
  • クレセントシドC
  • Crescentoside C
  • [(1S,3S,5aS)-5α-Hydroxy-5,5a,8,8aβ-tetrahydro-3,8α-methano-1H-cyclopenta[e][1,3]dioxepin]-1-yl β-D-glucopyranoside
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