Chem
J-GLOBAL ID:200907097587068005
Nikkaji number:J1.531.601B
Icariside C3
イカリシドC3
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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 H38 O8
Molecular formula furigana:
C21-H38-O8
Molecular weight:
418.527
InChI:
InChI=1S/C21H38O8/c1-6-21(5,11-7-8-13(2)9-10-15(23)20(3,4)27)29-19-18(26)17(25)16(24)14(12-22)28-19/h6,8,14-19,22-27H,1,7,9-12H2,2-5H3/b13-8+/t14-,15+,16-,17+,18-,19+,21-/m1/s1
InChI key:
YMBIFCWAAQZSSV-SCNAZFEJSA-N
SMILES:
C/C(=C\CC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=C)/CC[C@H](O)C(C)(C)O
Systematic name (3):
(3S,6E,10S)-2,6,10-トリメチル-10-(β-D-グルコピラノシルオキシ)-6,11-ドデカジエン-2,3-ジオール
(2S,3R,4S,5S,6R)-2-{[(3S,6E,10S)-10,11-ジヒドロキシ-3,7,11-トリメチルドデカ-1,6-ジエン-3-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-{[(3S,6E,10S)-10,11-dihydroxy-3,7,11-trimethyldodeca-1,6-dien-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3):
(3S,6E,10S)-2,6,10-Trimethyl-10-(β-D-glucopyranosyloxy)-6,11-dodecadiene-2,3-diol
イカリシドC3
Icariside C3
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