Chem
J-GLOBAL ID:200907044318791993
Nikkaji number:J413.365J
Lobetyolin
ロベチオリン
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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:
C20 H28 O8
Molecular formula furigana:
C20-H28-O8
Molecular weight:
396.436
InChI:
InChI=1S/C20H28O8/c1-2-3-4-5-7-10-14(23)15(11-8-6-9-12-21)27-20-19(26)18(25)17(24)16(13-22)28-20/h2-3,8,11,14-26H,6,9,12-13H2,1H3/b3-2+,11-8+/t14?,15?,16-,17-,18+,19-,20-/m1/s1
InChI key:
MMMUDYVKKPDZHS-UPPVCQNNSA-N
SMILES:
C/C=C/C#CC#CC(O)C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)/C=C/CCCO
Systematic name (4):
(4E,12E)-6-β-D-グルコピラノシルオキシテトラデカ-4,12-ジエン-8,10-ジイン-1,7-ジオール
(4E,12E)-6-(β-D-グルコピラノシルオキシ)-4,12-テトラデカジエン-8,10-ジイン-1,7-ジオール
(2R,3R,4S,5S,6R)-2-{[(4E,12E)-1,7-ジヒドロキシテトラデカ-4,12-ジエン-8,10-ジイン-6-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
(2R,3R,4S,5S,6R)-2-{[(4E,12E)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (6):
ロベチオリン
Lobetyolin
(4E,12E)-6-β-D-Glucopyranosyloxytetradeca-4,12-diene-8,10-diyne-1,7-diol
(4E,12E)-6-(β-D-Glucopyranosyloxy)-4,12-tetradecadiene-8,10-diyne-1,7-diol
イオベチオリン
Iobetyolin
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CAS registry number:
136085-37-5
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