Chem
J-GLOBAL ID：200907003300351920   Nikkaji number：J237.950C

7-[(Acetylthio)methyl]-1β-(β-D-glucopyranosyloxy)-1,4aβ,5,7aβ-tetrahydro-5α-hydroxycyclopenta[c]pyran-4-carboxylic acid

7-[(アセチルチオ)メチル]-1β-(β-D-グルコピラノシルオキシ)-1,4aβ,5,7aβ-テトラヒドロ-5α-ヒドロキシシクロペンタ[c]ピラン-4-カルボン酸
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： C18H24O11S
Molecular formula furigana： C18-H24-O11-S
Molecular weight： 448.440
InChI： InChI=1S/C18H24O11S/c1-6(20)30-5-7-2-9(21)12-8(16(25)26)4-27-17(11(7)12)29-18-15(24)14(23)13(22)10(3-19)28-18/h2,4,9-15,17-19,21-24H,3,5H2,1H3,(H,25,26)/t9-,10-,11+,12-,13-,14+,15-,17-,18+/m1/s1
InChI key： CRJVVPAYWKCLHU-MANNBFBNSA-N
SMILES： CC(=O)SCC1=C[C@@H](O)[C@@H]2[C@H]1[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(=O)O
Systematic name  (3)：
  • 7-[(アセチルチオ)メチル]-1β-(β-D-グルコピラノシルオキシ)-1,4aβ,5,7aβ-テトラヒドロ-5α-ヒドロキシシクロペンタ[c]ピラン-4-カルボン酸
  • (1R,4aR,5R,7aR)-7-[(アセチルスルファニル)メチル]-5-ヒドロキシ-1-{[(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}-1H,4aH,5H,7aH-シクロペンタ[c]ピラン-4-カルボン酸
  • (1R,4aR,5R,7aR)-7-[(acetylsulfanyl)methyl]-5-hydroxy-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylic acid
Other name (1)：
  • 7-[(Acetylthio)methyl]-1β-(β-D-glucopyranosyloxy)-1,4aβ,5,7aβ-tetrahydro-5α-hydroxycyclopenta[c]pyran-4-carboxylic acid
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