Chem
J-GLOBAL ID：200907002415053773   Nikkaji number：J2.136.950K

3β-Hydroxy-14,15β:20,21α-diepoxy-5β,14β-bufanolide-22-ene-16α-carboxylic acid methyl ester

3β-ヒドロキシ-14,15β:20,21α-ジエポキシ-5β,14β-ブファノリド-22-エン-16α-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： C26H34O7
Molecular formula furigana： C26-H34-O7
Molecular weight： 458.551
InChI： InChI=1S/C26H34O7/c1-23-9-6-14(27)12-13(23)4-5-16-15(23)7-10-24(2)19(25-11-8-17(28)31-22(25)33-25)18(21(29)30-3)20-26(16,24)32-20/h8,11,13-16,18-20,22,27H,4-7,9-10,12H2,1-3H3/t13-,14+,15+,16-,18+,19+,20-,22+,23+,24-,25+,26-/m1/s1
InChI key： YMOKMTQDWRAJOF-ISGKFXNRSA-N
SMILES： COC(=O)[C@@H]1[C@H]2O[C@@]32[C@@H]2CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]2CC[C@]3(C)[C@H]1[C@]12O[C@@H]1OC(=O)C=C2
Systematic name  (3)：
  • 3β-ヒドロキシ-14,15β:20,21α-ジエポキシ-5β,14β-ブファノリド-22-エン-16α-カルボン酸メチル
  • メチル (1R,2S,4R,5S,6S,7R,10S,11S,14S,16R)-14-ヒドロキシ-7,11-ジメチル-6-[(1R,6S)-3-オキソ-2,7-ジオキサビシクロ[4.1.0]ヘプタ-4-エン-6-イル]-3-オキサペンタシクロ[8.8.0.02,4.02,7.011,16]オクタデカン-5-カルボキシラート
  • methyl (1R,2S,4R,5S,6S,7R,10S,11S,14S,16R)-14-hydroxy-7,11-dimethyl-6-[(1R,6S)-3-oxo-2,7-dioxabicyclo[4.1.0]hept-4-en-6-yl]-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecane-5-carboxylate
Other name (1)：
  • 3β-Hydroxy-14,15β:20,21α-diepoxy-5β,14β-bufanolide-22-ene-16α-carboxylic acid methyl ester
Thsaurus map：
Thesaurus Map

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