Chem
J-GLOBAL ID:200907005535706273   Nikkaji number:J2.339.138D

Tarenninoside B

タレンニノシドB
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: C23H24O12
Molecular formula furigana: C23-H24-O12
Molecular weight: 492.433
InChI: InChI=1S/C23H24O12/c24-16-14(9-32-21(31)10-4-2-1-3-5-10)34-23(18(26)17(16)25)35-22-15-11(6-7-12(15)19(27)28)13(8-33-22)20(29)30/h1-5,7-8,11,14-18,22-26H,6,9H2,(H,27,28)(H,29,30)/t11-,14-,15+,16-,17+,18-,22+,23+/m1/s1
InChI key: NTWLJOUQLLHNCX-IRQTYYGKSA-N
SMILES: O[C@@H]1[C@@H](COC(=O)c2ccccc2)O[C@@H](O[C@@H]2OC=C([C@H]3CC=C([C@@H]23)C(=O)O)C(=O)O)[C@H](O)[C@H]1O
Systematic name  (3):
  • (1S)-1α-(6-O-ベンゾイル-β-D-グルコピラノシルオキシ)-1,4aα,5,7aα-テトラヒドロシクロペンタ[c]ピラン-4,7-ジカルボン酸
  • (1S,4aS,7aS)-1-{[(2S,3R,4S,5S,6R)-6-[(ベンゾイルオキシ)メチル]-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}-1H,4aH,5H,7aH-シクロペンタ[c]ピラン-4,7-ジカルボン酸
  • (1S,4aS,7aS)-1-{[(2S,3R,4S,5S,6R)-6-[(benzoyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4,7-dicarboxylic acid
Other name (3):
  • (1S)-1α-(6-O-Benzoyl-β-D-glucopyranosyloxy)-1,4aα,5,7aα-tetrahydrocyclopenta[c]pyran-4,7-dicarboxylic acid
  • Tarenninoside B
  • タレンニノシドB
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