Chem
J-GLOBAL ID:200907061549739210
Nikkaji number:J2.775.715D
8-Epideoxyloganin tetraacetate
8-エポキシロガニンテトラアセタート
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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:
C25 H34 O13
Molecular formula furigana:
C25-H34-O13
Molecular weight:
542.534
InChI:
InChI=1S/C25H34O13/c1-11-7-8-16-17(23(30)31-6)9-33-24(19(11)16)38-25-22(36-15(5)29)21(35-14(4)28)20(34-13(3)27)18(37-25)10-32-12(2)26/h9,11,16,18-22,24-25H,7-8,10H2,1-6H3/t11-,16-,18-,19-,20-,21+,22-,24+,25+/m1/s1
InChI key:
YAAQITKFMRGHMP-UMSQOAOASA-N
SMILES:
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C)[C@@H]2[C@H](C)CC[C@H]12
Systematic name (3):
(1S)-1α-(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)-1,4aα,5,6,7,7aα-ヘキサヒドロ-7β-メチルシクロペンタ[c]ピラン-4-カルボン酸メチル
メチル (1S,4aS,7R,7aR)-7-メチル-1-{[(2S,3R,4S,5R,6R)-3,4,5-トリス(アセチルオキシ)-6-[(アセチルオキシ)メチル]オキサン-2-イル]オキシ}-1H,4aH,5H,6H,7H,7aH-シクロペンタ[c]ピラン-4-カルボキシラート
methyl (1S,4aS,7R,7aR)-7-methyl-1-{[(2S,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylate
Other name (3):
(1S)-1α-(2-O,3-O,4-O,6-O-Tetraacetyl-β-D-glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-7β-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester
8-Epideoxyloganin tetraacetate
8-エポキシロガニンテトラアセタート
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