Chem
J-GLOBAL ID：200907006675652412
Nikkaji number：J2.104.328A
(20S,21S)-14,15β:20,21-Diepoxy-3β-acetoxy-5β-bufa-22-enolide
(20S,21S)-14,15β:20,21-ジエポキシ-3β-アセトキシ-5β-ブファ-22-エノリド
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
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
Molecular formula： C26H34O6
Molecular formula furigana： C26-H34-O6
Molecular weight： 442.552
InChI：
InChI=1S/C26H34O6/c1-14(27)29-16-6-9-23(2)15(12-16)4-5-18-17(23)7-10-24(3)19(13-20-26(18,24)31-20)25-11-8-21(28)30-22(25)32-25/h8,11,15-20,22H,4-7,9-10,12-13H2,1-3H3/t15-,16+,17+,18-,19+,20-,22-,23+,24-,25+,26-/m1/s1
InChI key：
FPSOKWLLCMWZPL-YOAQZPNYSA-N
SMILES：
CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](C[C@H]4O[C@@]324)[C@]23O[C@H]2OC(=O)C=C3)C1
Systematic name (3)：
- (20S,21S)-14,15β:20,21-ジエポキシ-3β-アセトキシ-5β-ブファ-22-エノリド
- (1R,2S,4R,6S,7R,10S,11S,14S,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-イル アセタート
- (1R,2S,4R,6S,7R,10S,11S,14S,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-yl acetate
- (20S,21S)-14,15β:20,21-Diepoxy-3β-acetoxy-5β-bufa-22-enolide
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