Chem
J-GLOBAL ID:200907011018606641
Nikkaji number:J1.763.431C
(2S,3E,4S)-3-Ethylidene-2-(β-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetic acid (2S)-2-(methoxycarbonyl)-2-[(1S,2R,3S)-2-(methoxycarbonyl)-3-methylcyclopentyl]ethyl ester
(2S,3E,4S)-3-エチリデン-2-(β-D-グルコピラノシルオキシ)-3,4-ジヒドロ-5-(メトキシカルボニル)-2H-ピラン-4-酢酸(2S)-2-(メトキシカルボニル)-2-[(1S,2R,3S)-2-(メトキシカルボニル)-3-メチルシクロペンチル]エチル
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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:
C29 H42 O15
Molecular formula furigana:
C29-H42-O15
Molecular weight:
630.640
InChI:
InChI=1S/C29H42O15/c1-6-14-16(9-20(31)41-11-17(25(35)38-3)15-8-7-13(2)21(15)27(37)40-5)18(26(36)39-4)12-42-28(14)44-29-24(34)23(33)22(32)19(10-30)43-29/h6,12-13,15-17,19,21-24,28-30,32-34H,7-11H2,1-5H3/b14-6+/t13-,15+,16-,17+,19+,21+,22+,23-,24+,28-,29-/m0/s1
InChI key:
UIIHMJKGOSOZFZ-WOVFDYKPSA-N
SMILES:
COC(=O)[C@H](COC(=O)C[C@H]1/C(=C\C)/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C1C(=O)OC)[C@H]1CC[C@H](C)[C@H]1C(=O)OC
Systematic name (3):
(2S,3E,4S)-3-エチリデン-2-(β-D-グルコピラノシルオキシ)-3,4-ジヒドロ-5-(メトキシカルボニル)-2H-ピラン-4-酢酸(2S)-2-(メトキシカルボニル)-2-[(1S,2R,3S)-2-(メトキシカルボニル)-3-メチルシクロペンチル]エチル
メチル (2S,3E,4S)-3-エチリデン-4-{2-[(2S)-3-メトキシ-2-[(1S,2R,3S)-2-(メトキシカルボニル)-3-メチルシクロペンチル]-3-オキソプロポキシ]-2-オキソエチル}-2-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-3,4-ジヒドロ-2H-ピラン-5-カルボキシラート
methyl (2S,3E,4S)-3-ethylidene-4-{2-[(2S)-3-methoxy-2-[(1S,2R,3S)-2-(methoxycarbonyl)-3-methylcyclopentyl]-3-oxopropoxy]-2-oxoethyl}-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate
Other name (1):
(2S,3E,4S)-3-Ethylidene-2-(β-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetic acid (2S)-2-(methoxycarbonyl)-2-[(1S,2R,3S)-2-(methoxycarbonyl)-3-methylcyclopentyl]ethyl ester
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