Chem
J-GLOBAL ID:200907050356077161   Nikkaji number:J2.136.953E

20,21-Epoxyresibufogenin-3-formate

20,21-エポキシレシブホゲニン-3-ホルマート
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: C25H32O6
Molecular formula furigana: C25-H32-O6
Molecular weight: 428.525
InChI: InChI=1S/C25H32O6/c1-22-8-5-13(20(27)28)11-14(22)3-4-16-15(22)6-9-23(2)17(12-18-25(16,23)30-18)24-10-7-19(26)29-21(24)31-24/h7,10,13-18,21H,3-6,8-9,11-12H2,1-2H3,(H,27,28)/t13-,14+,15-,16+,17-,18+,21-,22-,23+,24-,25+/m0/s1
InChI key: YVIDEMOOARZQOJ-WUSCABBBSA-N
SMILES: C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](CC[C@]34C)C(=O)O)[C@@]31O[C@@H]3C[C@@H]2[C@]12O[C@@H]1OC(=O)C=C2
Systematic name  (3):
  • 14,15β:20,21α-ジエポキシ-5β,14β-ブファノリド-22-エン-3β-カルボン酸
  • (1R,2S,4R,6S,7R,10S,11S,14S,16R)-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-14-カルボン酸
  • (1R,2S,4R,6S,7R,10S,11S,14S,16R)-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-14-carboxylic acid
Other name (3):
  • 14,15β:20,21α-Diepoxy-5β,14β-bufanolide-22-ene-3β-carboxylic acid
  • 20,21-Epoxyresibufogenin-3-formate
  • 20,21-エポキシレシブホゲニン-3-ホルマート
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