Chem
J-GLOBAL ID：200907005493602626
Nikkaji number：J1.666.671H
(4S)-4β-[2-Oxo-2-[[(1S)-2α-methyl-3β-(hydroxymethyl)-4α-[(R)-1-methyl-2-hydroxyethyl]cyclopentane-1α-yl]oxy]ethyl]-5-[(E)-ethylidene]-6α-(β-D-glucopyranosyloxy)-5,6-dihydro-4H-pyran-3-carboxylic acid
(4S)-4β-[2-オキソ-2-[[(1S)-2α-メチル-3β-(ヒドロキシメチル)-4α-[(R)-1-メチル-2-ヒドロキシエチル]シクロペンタン-1α-イル]オキシ]エチル]-5-[(E)-エチリデン]-6α-(β-D-グルコピラノシルオキシ)-5,6-ジヒドロ-4H-ピラン-3-カルボン酸
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
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
Molecular formula： C26H40O13
Molecular formula furigana： C26-H40-O13
Molecular weight： 560.593
InChI：
InChI=1S/C26H40O13/c1-4-13-15(6-20(30)37-18-5-14(11(2)7-27)16(8-28)12(18)3)17(24(34)35)10-36-25(13)39-26-23(33)22(32)21(31)19(9-29)38-26/h4,10-12,14-16,18-19,21-23,25-29,31-33H,5-9H2,1-3H3,(H,34,35)/b13-4+/t11-,12+,14-,15-,16+,18-,19+,21+,22-,23+,25-,26-/m0/s1
InChI key：
ZASMIISJGKMHFI-VWWGNFNJSA-N
SMILES：
C/C=C\1/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C([C@H]1CC(=O)O[C@H]1C[C@@H]([C@@H](C)CO)[C@H](CO)[C@H]1C)C(=O)O
Systematic name (3)：
- (4S)-4β-[2-オキソ-2-[[(1S)-2α-メチル-3β-(ヒドロキシメチル)-4α-[(R)-1-メチル-2-ヒドロキシエチル]シクロペンタン-1α-イル]オキシ]エチル]-5-[(E)-エチリデン]-6α-(β-D-グルコピラノシルオキシ)-5,6-ジヒドロ-4H-ピラン-3-カルボン酸
- (2S,3E,4S)-3-エチリデン-4-(2-{[(1S,2R,3S,4S)-3-(ヒドロキシメチル)-4-[(2R)-1-ヒドロキシプロパン-2-イル]-2-メチルシクロペンチル]オキシ}-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-カルボン酸
- (2S,3E,4S)-3-ethylidene-4-(2-{[(1S,2R,3S,4S)-3-(hydroxymethyl)-4-[(2R)-1-hydroxypropan-2-yl]-2-methylcyclopentyl]oxy}-2-oxoethyl)-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acid
- (4S)-4β-[2-Oxo-2-[[(1S)-2α-methyl-3β-(hydroxymethyl)-4α-[(R)-1-methyl-2-hydroxyethyl]cyclopentane-1α-yl]oxy]ethyl]-5-[(E)-ethylidene]-6α-(β-D-glucopyranosyloxy)-5,6-dihydro-4H-pyran-3-carboxylic acid
Return to Previous Page
