Chem
J-GLOBAL ID:200907020367358484
Nikkaji number:J817.945J
Byzantionoside A tetraacetate
ビザンチオノシドAテトラアセタート
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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:
C27 H38 O11
Molecular formula furigana:
C27-H38-O11
Molecular weight:
538.590
InChI:
InChI=1S/C27H38O11/c1-14-11-20(12-27(7,8)21(14)10-9-15(2)28)37-26-25(36-19(6)32)24(35-18(5)31)23(34-17(4)30)22(38-26)13-33-16(3)29/h9-11,20-26H,12-13H2,1-8H3/b10-9+/t20-,21-,22+,23+,24-,25+,26+/m0/s1
InChI key:
VCPIWPBZCUSWOQ-DNLANBISSA-N
SMILES:
CC(=O)OC[C@H]1O[C@@H](O[C@@H]2CC(C)(C)[C@@H](/C=C/C(=O)C)C(=C2)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C
Systematic name (3):
(E)-4-[(1R)-4α-[(2-O,3-O,4-O,6-O-テトラアセチル-β-D-グルコピラノシル)オキシ]-2,6,6-トリメチル-2-シクロヘキセン-1β-イル]-3-ブテン-2-オン
[(2R,3R,4S,5R,6R)-3,4,5-トリス(アセチルオキシ)-6-{[(1R,4R)-3,5,5-トリメチル-4-[(1E)-3-オキソブタ-1-エン-1-イル]シクロヘキサ-2-エン-1-イル]オキシ}オキサン-2-イル]メチル アセタート
[(2R,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-{[(1R,4R)-3,5,5-trimethyl-4-[(1E)-3-oxobut-1-en-1-yl]cyclohex-2-en-1-yl]oxy}oxan-2-yl]methyl acetate
Other name (3):
ビザンチオノシドAテトラアセタート
Byzantionoside A tetraacetate
(E)-4-[(1R)-4α-[(2-O,3-O,4-O,6-O-Tetraacetyl-β-D-glucopyranosyl)oxy]-2,6,6-trimethyl-2-cyclohexen-1β-yl]-3-buten-2-one
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