Chem
J-GLOBAL ID:200907027870830527   Nikkaji number:J294.829J

21-[(2-O,3-O,4-O,6-O-Tetraacetyl-α-D-glucopyranosyl)oxy]pregn-4-ene-3,20-dione

21-[(2-O,3-O,4-O,6-O-テトラアセチル-α-D-グルコピラノシル)オキシ]プレグナ-4-エン-3,20-ジオン
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: C35H48O12
Molecular formula furigana: C35-H48-O12
Molecular weight: 660.757
InChI: InChI=1S/C35H48O12/c1-18(36)42-17-29-30(44-19(2)37)31(45-20(3)38)32(46-21(4)39)33(47-29)43-16-28(41)27-10-9-25-24-8-7-22-15-23(40)11-13-34(22,5)26(24)12-14-35(25,27)6/h15,24-27,29-33H,7-14,16-17H2,1-6H3/t24-,25-,26-,27+,29+,30+,31-,32+,33-,34-,35-/m0/s1
InChI key: PUCKSOHSQOODDS-QQHFTRTASA-N
SMILES: CC(=O)OC[C@H]1O[C@H](OCC(=O)[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C
Systematic name  (3):
  • 21-[(2-O,3-O,4-O,6-O-テトラアセチル-α-D-グルコピラノシル)オキシ]プレグナ-4-エン-3,20-ジオン
  • [(2R,3R,4S,5R,6S)-6-{2-[(1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-ジメチル-7-オキソ-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル]-2-オキソエトキシ}-3,4,5-トリス(アセチルオキシ)オキサン-2-イル]メチル アセタート
  • [(2R,3R,4S,5R,6S)-6-{2-[(1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethoxy}-3,4,5-tris(acetyloxy)oxan-2-yl]methyl acetate
Other name (1):
  • 21-[(2-O,3-O,4-O,6-O-Tetraacetyl-α-D-glucopyranosyl)oxy]pregn-4-ene-3,20-dione
CAS registry number: 41092-37-9
Regulation number (1):
  • EINECS2552133
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