Chem
J-GLOBAL ID：200907064994079750   Nikkaji number：J2.363.222E

3-O-Methyl-21,23-dihydro-23-hydroxy-21-oxonomilinic acid

3-O-メチル-21,23-ジヒドロ-23-ヒドロキシ-21-オキソノミリン酸
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： C29H38O12
Molecular formula furigana： C29-H38-O12
Molecular weight： 578.611
InChI： InChI=1S/C29H38O12/c1-13(30)38-18(12-19(32)37-7)27(5)15-8-9-26(4)21(14-10-20(33)39-23(14)34)40-24(35)22-29(26,41-22)28(15,6)17(31)11-16(27)25(2,3)36/h10,15-16,18,20-22,33,36H,8-9,11-12H2,1-7H3/t15-,16+,18+,20?,21+,22-,26+,27-,28+,29-/m1/s1
InChI key： TVFBTTNICRJUHG-XOMDJUCQSA-N
SMILES： COC(=O)C[C@H](OC(=O)C)[C@@]1(C)[C@@H](CC(=O)[C@]2(C)[C@@H]1CC[C@@]1(C)[C@@H](OC(=O)[C@H]3O[C@@]213)C1=CC(O)OC1=O)C(C)(C)O
Systematic name  (3)：
  • (1S)-1-アセトキシ-23-ヒドロキシ-1,2,21,23-テトラヒドロ-21-オキソオバクン酸メチル
  • メチル (3S)-3-(アセチルオキシ)-3-[(1R,2R,5R,6R,7R,10S,11R,14S)-11-(5-ヒドロキシ-2-オキソ-2,5-ジヒドロフラン-3-イル)-5-(2-ヒドロキシプロパン-2-イル)-2,6,10-トリメチル-3,13-ジオキソ-12,15-ジオキサテトラシクロ[8.5.0.01,14.02,7]ペンタデカン-6-イル]プロパノアート
  • methyl (3S)-3-(acetyloxy)-3-[(1R,2R,5R,6R,7R,10S,11R,14S)-11-(5-hydroxy-2-oxo-2,5-dihydrofuran-3-yl)-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecan-6-yl]propanoate
Other name (3)：
  • (1S)-1-Acetoxy-23-hydroxy-1,2,21,23-tetrahydro-21-oxoobacunoic acid methyl ester
  • 3-O-メチル-21,23-ジヒドロ-23-ヒドロキシ-21-オキソノミリン酸
  • 3-O-Methyl-21,23-dihydro-23-hydroxy-21-oxonomilinic acid
Thsaurus map：
Thesaurus Map

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