Chem
J-GLOBAL ID：200907003247676413   Nikkaji number：J1.433.291J

(1S)-1-Methyl-2-hydroxy-8-methylene-4aα,1-(oxycarbonyl)-1,2-secogibbane-10β-carboxylic acid methyl ester

(1S)-1-メチル-2-ヒドロキシ-8-メチレン-4aα,1-(オキシカルボニル)-1,2-セコギバン-10β-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： C20H28O5
Molecular formula furigana： C20-H28-O5
Molecular weight： 348.439
InChI： InChI=1S/C20H28O5/c1-11-9-19-10-13(11)5-6-14(19)20(7-4-8-21)15(12(2)17(22)25-20)16(19)18(23)24-3/h12-16,21H,1,4-10H2,2-3H3/t12-,13+,14+,15-,16+,19-,20+/m0/s1
InChI key： RGMKLZADZREJRW-ZAEKHFETSA-N
SMILES： COC(=O)[C@H]1[C@@H]2[C@H](C)C(=O)O[C@]2(CCCO)[C@@H]2CC[C@@H]3C[C@]12CC3=C
Systematic name  (3)：
  • (1S)-1-メチル-2-ヒドロキシ-8-メチレン-4aα,1-(オキシカルボニル)-1,2-セコギバン-10β-カルボン酸メチル
  • メチル (1R,2S,3S,4S,7S,8R,11R)-7-(3-ヒドロキシプロピル)-4-メチル-12-メチリデン-5-オキソ-6-オキサテトラシクロ[9.2.1.01,8.03,7]テトラデカン-2-カルボキシラート
  • methyl (1R,2S,3S,4S,7S,8R,11R)-7-(3-hydroxypropyl)-4-methyl-12-methylidene-5-oxo-6-oxatetracyclo[9.2.1.01,8.03,7]tetradecane-2-carboxylate
Other name (1)：
  • (1S)-1-Methyl-2-hydroxy-8-methylene-4aα,1-(oxycarbonyl)-1,2-secogibbane-10β-carboxylic acid methyl ester
Thsaurus map：
Thesaurus Map

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