Chem
J-GLOBAL ID:200907044625964340   Nikkaji number:J292.893K

Digoxigenin bisdigitoxoside

ジゴキシゲニンビスジギトキソシド
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: C35H54O11
Molecular formula furigana: C35-H54-O11
Molecular weight: 650.806
InChI: InChI=1S/C35H54O11/c1-17-31(40)25(36)14-30(43-17)46-32-18(2)44-29(15-26(32)37)45-21-7-9-33(3)20(12-21)5-6-23-24(33)13-27(38)34(4)22(8-10-35(23,34)41)19-11-28(39)42-16-19/h11,17-18,20-27,29-32,36-38,40-41H,5-10,12-16H2,1-4H3/t17-,18-,20-,21+,22-,23-,24+,25+,26+,27-,29+,30+,31-,32-,33+,34+,35+/m1/s1
InChI key: NTSBMKIZRSBFTA-AIDOXSFESA-N
SMILES: C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3C[C@@H](O)[C@]3(C)[C@H](CC[C@]43O)C3=CC(=O)OC3)C2)O[C@@H]1C
Systematic name  (5):
  • 3β-[[2,6-ジデオキシ-4-O-(2,6-ジデオキシ-β-D-ribo-ヘキソピラノシル)-β-D-ribo-ヘキソピラノシル]オキシ]-12β,14-ジヒドロキシ-5β,14β-カルダ-20(22)-エノリド
  • 3β-[[4-O-(2,6-ジデオキシ-β-D-ribo-ヘキソピラノシル)-2,6-ジデオキシ-β-D-ribo-ヘキソピラノシル]オキシ]-12β,14-ジヒドロキシ-5β-カルダ-20(22)-エノリド
  • 12β,14β-ジヒドロキシ-5β-カルダ-20(22)-エノリド-3β-イル4-O-(2,6-ジデオキシ-β-D-アルトロピラノシル)-2,6-ジデオキシ-β-D-アルトロピラノシド
  • 4-[(1R,3aS,3bR,5aR,7S,9aS,9bS,11R,11aS)-7-{[(2R,4S,5S,6R)-5-{[(2S,4S,5S,6R)-4,5-ジヒドロキシ-6-メチルオキサン-2-イル]オキシ}-4-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-3a,11-ジヒドロキシ-9a,11a-ジメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-1-イル]-2,5-ジヒドロフラン-2-オン
  • 4-[(1R,3aS,3bR,5aR,7S,9aS,9bS,11R,11aS)-7-{[(2R,4S,5S,6R)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-3a,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one
Other name (5):
  • ジゴキシゲニンビスジギトキソシド
  • Digoxigenin bisdigitoxoside
  • 3β-[[4-O-(2,6-Dideoxy-β-D-ribo-hexopyranosyl)-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy]-12β,14-dihydroxy-5β-card-20(22)-enolide
  • 3β-[[2,6-Dideoxy-4-O-(2,6-dideoxy-β-D-ribo-hexopyranosyl)-β-D-ribo-hexopyranosyl]oxy]-12β,14-dihydroxy-5β,14β-card-20(22)-enolide
  • 12β,14β-Dihydroxy-5β-carda-20(22)-enolide-3β-yl 4-O-(2,6-dideoxy-β-D-altropyranosyl)-2,6-dideoxy-β-D-altropyranoside
CAS registry number: 5297-05-2
Regulation number (1):
  • EINECS2261430
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