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
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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:
C20 H28 O5
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
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