Chem
J-GLOBAL ID:200907051559287869   Nikkaji number:J413.392G

(5β,8R,10α,13R,14S)-14-(Tigloyloxy)-3α-hydroxybeyer-15-en-18-oic acid methyl ester

(5β,8R,10α,13R,14S)-14-(チグロイルオキシ)-3α-ヒドロキシベイエラ-15-エン-18-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: C26H38O5
Molecular formula furigana: C26-H38-O5
Molecular weight: 430.585
InChI: InChI=1S/C26H38O5/c1-7-16(2)20(28)31-21-23(3)11-8-18-24(4)12-10-19(27)25(5,22(29)30-6)17(24)9-13-26(18,21)15-14-23/h7,14-15,17-19,21,27H,8-13H2,1-6H3/b16-7+/t17-,18+,19+,21-,23+,24+,25-,26+/m0/s1
InChI key: ULVKHZYHAANCFG-JBCMJXADSA-N
SMILES: COC(=O)[C@]1(C)[C@H](O)CC[C@@]2(C)[C@H]3CC[C@]4(C)C=C[C@@]3(CC[C@H]12)[C@H]4OC(=O)/C(=C/C)/C
Systematic name  (3):
  • (5β,8R,10α,13R,14S)-14-(チグロイルオキシ)-3α-ヒドロキシベイエラ-15-エン-18-酸メチル
  • メチル (1R,4S,5S,6R,9S,10R,13R,16S)-6-ヒドロキシ-5,9,13-トリメチル-16-{[(2E)-2-メチルブタ-2-エノイル]オキシ}テトラシクロ[11.2.1.01,10.04,9]ヘキサデカ-14-エン-5-カルボキシラート
  • methyl (1R,4S,5S,6R,9S,10R,13R,16S)-6-hydroxy-5,9,13-trimethyl-16-{[(2E)-2-methylbut-2-enoyl]oxy}tetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylate
Other name (1):
  • (5β,8R,10α,13R,14S)-14-(Tigloyloxy)-3α-hydroxybeyer-15-en-18-oic acid methyl ester
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