Chem
J-GLOBAL ID:200907027627980057
Nikkaji number:J2.069.250B
[(1aS)-6α-Hydroxy-1a-(hydroxymethyl)-1a,1bα,2,5aα,6,6aβ-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2α-yl]3-O-β-D-glucopyranosyl-β-D-glucopyranoside
[(1aS)-6α-ヒドロキシ-1a-(ヒドロキシメチル)-1a,1bα,2,5aα,6,6aβ-ヘキサヒドロオキシレノ[4,5]シクロペンタ[1,2-c]ピラン-2α-イル]3-O-β-D-グルコピラノシル-β-D-グルコピラノシド
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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:
C21 H32 O15
Molecular formula furigana:
C21-H32-O15
Molecular weight:
524.472
InChI:
InChI=1S/C21H32O15/c22-3-7-11(26)13(28)14(29)19(32-7)34-16-12(27)8(4-23)33-20(15(16)30)35-18-9-6(1-2-31-18)10(25)17-21(9,5-24)36-17/h1-2,6-20,22-30H,3-5H2/t6-,7-,8-,9-,10+,11-,12-,13+,14-,15-,16+,17+,18+,19+,20+,21-/m1/s1
InChI key:
OLAXRWCUBBFTCW-YVHMCYQWSA-N
SMILES:
OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]3OC=C[C@H]4[C@H](O)[C@@H]5O[C@]5(CO)[C@@H]34)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name (3):
[(1aS)-6α-ヒドロキシ-1a-(ヒドロキシメチル)-1a,1bα,2,5aα,6,6aβ-ヘキサヒドロオキシレノ[4,5]シクロペンタ[1,2-c]ピラン-2α-イル]3-O-β-D-グルコピラノシル-β-D-グルコピラノシド
(2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-3,5-ジヒドロキシ-2-{[(1S,2S,4S,5S,6R,10S)-5-ヒドロキシ-2-(ヒドロキシメチル)-3,9-ジオキサトリシクロ[4.4.0.02,4 ]デカ-7-エン-10-イル]オキシ}-6-(ヒドロキシメチル)オキサン-4-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-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-{[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4 ]dec-7-en-10-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (1):
[(1aS)-6α-Hydroxy-1a-(hydroxymethyl)-1a,1bα,2,5aα,6,6aβ-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2α-yl]3-O-β-D-glucopyranosyl-β-D-glucopyranoside
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