Chem
J-GLOBAL ID:200907017327062271   Nikkaji number:J2.527.133E

(1S,2S,4R,7R,9S,10S,11S,13R)-1-(1-Hydroxypropyl)-4-phenyl-9-methoxy-13-formyl-3,5,8-trioxatricyclo[8.3.0.02,7]tridecane-11-carboxylic acid methyl ester

(1S,2S,4R,7R,9S,10S,11S,13R)-1-(1-ヒドロキシプロピル)-4-フェニル-9-メトキシ-13-ホルミル-3,5,8-トリオキサトリシクロ[8.3.0.02,7]トリデカン-11-カルボン酸メチル
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: C23H30O8
Molecular formula furigana: C23-H30-O8
Molecular weight: 434.485
InChI: InChI=1S/C23H30O8/c1-4-17(25)23-14(11-24)10-15(20(26)27-2)18(23)22(28-3)30-16-12-29-21(31-19(16)23)13-8-6-5-7-9-13/h5-9,11,14-19,21-22,25H,4,10,12H2,1-3H3/t14-,15-,16+,17?,18+,19+,21+,22-,23+/m0/s1
InChI key: YLXSVOGZSPSAGM-BFXJRZKZSA-N
SMILES: CCC(O)[C@]12[C@@H](C[C@@H]([C@@H]1[C@@H](OC)O[C@@H]1CO[C@H](O[C@@H]21)c1ccccc1)C(=O)OC)C=O
Systematic name  (3):
  • (1S,2S,4R,7R,9S,10S,11S,13R)-1-(1-ヒドロキシプロピル)-4-フェニル-9-メトキシ-13-ホルミル-3,5,8-トリオキサトリシクロ[8.3.0.02,7]トリデカン-11-カルボン酸メチル
  • メチル (1S,2S,3R,5S,6S,7S,9R,12R)-3-ホルミル-2-(1-ヒドロキシプロピル)-7-メトキシ-12-フェニル-8,11,13-トリオキサトリシクロ[7.4.0.02,6]トリデカン-5-カルボキシラート
  • methyl (1S,2S,3R,5S,6S,7S,9R,12R)-3-formyl-2-(1-hydroxypropyl)-7-methoxy-12-phenyl-8,11,13-trioxatricyclo[7.4.0.02,6]tridecane-5-carboxylate
Other name (1):
  • (1S,2S,4R,7R,9S,10S,11S,13R)-1-(1-Hydroxypropyl)-4-phenyl-9-methoxy-13-formyl-3,5,8-trioxatricyclo[8.3.0.02,7]tridecane-11-carboxylic acid methyl ester
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