Chem
J-GLOBAL ID:200907027044473912   Nikkaji number:J2.444.854A

3β-[(4-O-β-D-Xylopyranosyl-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxocarda-20(22)-enolide

3β-[(4-O-β-D-キシロピラノシル-2,6-ジデオキシ-β-D-ribo-ヘキソピラノシル)オキシ]-5,14-ジヒドロキシ-19-オキソカルダ-20(22)-エノリド
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: C34H50O13
Molecular formula furigana: C34-H50-O13
Molecular weight: 666.761
InChI: InChI=1S/C34H50O13/c1-17-29(47-30-28(40)27(39)24(37)15-44-30)23(36)12-26(45-17)46-19-3-8-32(16-35)21-4-7-31(2)20(18-11-25(38)43-14-18)6-10-34(31,42)22(21)5-9-33(32,41)13-19/h11,16-17,19-24,26-30,36-37,39-42H,3-10,12-15H2,1-2H3/t17-,19+,20-,21+,22-,23+,24-,26+,27+,28-,29-,30+,31-,32+,33?,34+/m1/s1
InChI key: GPMRZMZJGUPWPZ-PGQWHPAISA-N
SMILES: C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@H](CC[C@]4(O)[C@@H]3CCC2(O)C1)C1=CC(=O)OC1
Systematic name  (3):
  • 3β-[(4-O-β-D-キシロピラノシル-2,6-ジデオキシ-β-D-ribo-ヘキソピラノシル)オキシ]-5,14-ジヒドロキシ-19-オキソカルダ-20(22)-エノリド
  • (1R,3aS,3bR,7S,9aS,9bS,11aR)-3a,5a-ジヒドロキシ-7-{[(2R,4S,5S,6R)-4-ヒドロキシ-6-メチル-5-{[(2S,3R,4S,5R)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-11a-メチル-1-(5-オキソ-2,5-ジヒドロフラン-3-イル)-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-9a-カルバルデヒド
  • (1R,3aS,3bR,7S,9aS,9bS,11aR)-3a,5a-dihydroxy-7-{[(2R,4S,5S,6R)-4-hydroxy-6-methyl-5-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehyde
Other name (1):
  • 3β-[(4-O-β-D-Xylopyranosyl-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxocarda-20(22)-enolide
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