Chem
J-GLOBAL ID：200907013458688235   Nikkaji number：J1.177.923I

14β-Hydroxy-5β-carda-20(22)-enolide-3β-yl 3-O-β-D-xylopyranosyl-β-D-glucopyranoside

14β-ヒドロキシ-5β-カルダ-20(22)-エノリド-3β-イル3-O-β-D-キシロピラノシル-β-D-グルコピラノシド
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： C34H52O13
Molecular formula furigana： C34-H52-O13
Molecular weight： 668.777
InChI： InChI=1S/C34H52O13/c1-32-8-5-18(45-31-28(41)29(26(39)23(13-35)46-31)47-30-27(40)25(38)22(36)15-44-30)12-17(32)3-4-21-20(32)6-9-33(2)19(7-10-34(21,33)42)16-11-24(37)43-14-16/h11,17-23,25-31,35-36,38-42H,3-10,12-15H2,1-2H3/t17-,18+,19-,20+,21-,22-,23-,25+,26-,27-,28-,29+,30+,31-,32+,33-,34+/m1/s1
InChI key： CORSMJHLXVEOQK-LWDFGRKASA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](CC[C@]34C)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
Systematic name  (3)：
  • 14β-ヒドロキシ-5β-カルダ-20(22)-エノリド-3β-イル3-O-β-D-キシロピラノシル-β-D-グルコピラノシド
  • 4-[(1R,3aS,3bR,5aR,7S,9aS,9bS,11aR)-7-{[(2R,3R,4S,5R,6R)-3,5-ジヒドロキシ-6-(ヒドロキシメチル)-4-{[(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}-3a-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,11aR)-7-{[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one
Other name (1)：
  • 14β-Hydroxy-5β-carda-20(22)-enolide-3β-yl 3-O-β-D-xylopyranosyl-β-D-glucopyranoside
Thsaurus map：
Thesaurus Map

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