Chem
J-GLOBAL ID:200907050047032587   Nikkaji number:J640.694G

Picramnioside B

ピクラムニオシド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: C22H22O10
Molecular formula furigana: C22-H22-O10
Molecular weight: 446.408
InChI: InChI=1S/C22H22O10/c1-8(24)31-22-20(30)18(28)19(29)21(32-22)14-10-3-2-4-12(25)15(10)17(27)16-11(14)5-9(7-23)6-13(16)26/h2-6,14,18-23,25-26,28-30H,7H2,1H3/t14-,18+,19+,20-,21-,22+/m0/s1
InChI key: WLMRFFFLFIPZEO-GLUYVPOKSA-N
SMILES: CC(=O)O[C@@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)[C@H]1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12
Systematic name  (3):
  • 10β-[[テトラヒドロ-6α-(アセトキシ)-3α,4β,5α-トリヒドロキシ-2H-ピラン]-2β-イル]-1,8-ジヒドロキシ-3-(ヒドロキシメチル)アントラセン-9(10H)-オン
  • (2S,3S,4R,5R,6S)-6-[(9S)-4,5-ジヒドロキシ-2-(ヒドロキシメチル)-10-オキソ-9,10-ジヒドロアントラセン-9-イル]-3,4,5-トリヒドロキシオキサン-2-イル アセタート
  • (2S,3S,4R,5R,6S)-6-[(9S)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl acetate
Other name (2):
  • ピクラムニオシドB
  • Picramnioside B
CAS registry number: 162666-33-3
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