Chem
J-GLOBAL ID:200907018194023517   Nikkaji number:J1.781.718C

(20S)-3-Oxo-20,21-epoxyresibufogenin

(20S)-3-オキソ-20,21-エポキシレシブホゲニン
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: C24H30O5
Molecular formula furigana: C24-H30-O5
Molecular weight: 398.499
InChI: InChI=1S/C24H30O5/c1-21-8-5-14(25)11-13(21)3-4-16-15(21)6-9-22(2)17(12-18-24(16,22)28-18)23-10-7-19(26)27-20(23)29-23/h7,10,13,15-18,20H,3-6,8-9,11-12H2,1-2H3/t13-,15+,16-,17+,18-,20-,21+,22-,23+,24-/m1/s1
InChI key: AMHVZECVAABXSC-BHZKGVBYSA-N
SMILES: C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)[C@@]31O[C@@H]3C[C@@H]2[C@]12O[C@H]1OC(=O)C=C2
Systematic name  (3):
  • (20S,21S)-3-オキソ-21-ヒドロキシ-14β,15β:20,21-ジエポキシ-5β-コラ-22-エン-24-酸δ-ラクトン
  • (1R,2S,4R,6S,7R,10S,11S,16R)-7,11-ジメチル-6-[(1S,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-オン
  • (1R,2S,4R,6S,7R,10S,11S,16R)-7,11-dimethyl-6-[(1S,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]octadecan-14-one
Other name (3):
  • (20S,21S)-3-Oxo-21-hydroxy-14β,15β:20,21-diepoxy-5β-chola-22-ene-24-oic acid δ-lactone
  • (20S)-3-オキソ-20,21-エポキシレシブホゲニン
  • (20S)-3-Oxo-20,21-epoxyresibufogenin
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