Chem
J-GLOBAL ID:200907042704212946
Nikkaji number:J663.262I
Alangionoside G
アランギオノシドG
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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:
C19 H34 O7
Molecular formula furigana:
C19-H34-O7
Molecular weight:
374.474
InChI:
InChI=1S/C19H34O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-6,10-18,20-24H,7-9H2,1-4H3/t10-,11+,12-,13-,14+,15+,16-,17+,18+/m0/s1
InChI key:
GKKBUYRPOITASA-PRXDXNDBSA-N
SMILES:
C[C@@H](O)C=C[C@H]1[C@@H](C)C[C@@H](CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name (3):
(R)-4-[(1R,4S,6S)-4-(β-D-グルコピラノシルオキシ)-2,2,6-トリメチルシクロヘキシル]-3-ブテン-2-オール
(2R,3R,4S,5S,6R)-2-{[(1S,4R,5S)-4-[(3R)-3-ヒドロキシブタ-1-エン-1-イル]-3,3,5-トリメチルシクロヘキシル]オキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
(2R,3R,4S,5S,6R)-2-{[(1S,4R,5S)-4-[(3R)-3-hydroxybut-1-en-1-yl]-3,3,5-trimethylcyclohexyl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3):
アランギオノシドG
Alangionoside G
(R)-4-[(1R,4S,6S)-4-(β-D-Glucopyranosyloxy)-2,2,6-trimethylcyclohexyl]-3-buten-2-ol
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