Chem
J-GLOBAL ID:200907026988669767
Nikkaji number:J2.775.764B
7-Epiloganin tetraacetate
7-エピ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 O14
Molecular formula furigana:
C25-H34-O14
Molecular weight:
558.533
InChI:
InChI=1S/C25H34O14/c1-10-17(30)7-15-16(23(31)32-6)8-34-24(19(10)15)39-25-22(37-14(5)29)21(36-13(4)28)20(35-12(3)27)18(38-25)9-33-11(2)26/h8,10,15,17-22,24-25,30H,7,9H2,1-6H3/t10-,15+,17+,18+,19+,20+,21-,22+,24-,25-/m0/s1
InChI key:
WZCFCKSAJWMDCC-QXKHIQGTSA-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)[C@H](O)C[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-6β-ヒドロキシ-7α-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,6R,7R,7aS)-6-ヒドロキシ-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,6R,7R,7aS)-6-hydroxy-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-6β-hydroxy-7α-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester
7-Epiloganin tetraacetate
7-エピロガニンテトラアセタート
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