Chem
J-GLOBAL ID：200907004993602910   Nikkaji number：J181.401J

Bryophyllin A

ブリオフィリンA
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： C26H32O8
Molecular formula furigana： C26-H32-O8
Molecular weight： 472.534
InChI： InChI=1S/C26H32O8/c1-22-11-18(28)21-17(26(22,30)8-6-16(22)14-3-4-20(29)31-12-14)5-7-24-10-15-9-19(25(21,24)13-27)33-23(2,32-15)34-24/h3-4,12-13,15-19,21,28,30H,5-11H2,1-2H3/t15-,16+,17+,18+,19+,21+,22+,23+,24-,25+,26-/m0/s1
InChI key： BMRNQSAXDJQXEL-BGJAGFQLSA-N
SMILES： C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@@]45C[C@@H]6C[C@@H](O[C@@](C)(O6)O4)[C@]35C=O)[C@@]1(O)CC[C@@H]2c1ccc(=O)oc1
Systematic name  (3)：
  • 1β,3β,5-[(R)-エチリジントリス(オキシ)]-11α,14-ジヒドロキシ-19-オキソ-5β-ブファ-20,22-ジエノリド
  • (1S,4R,5S,8R,9R,11R,12S,13R,14R,16R,18S)-5,11-ジヒドロキシ-9,16-ジメチル-8-(2-オキソ-2H-ピラン-5-イル)-15,17,20-トリオキサヘキサシクロ[14.3.1.114,18.01,13.04,12.05,9]ヘンイコサン-13-カルバルデヒド
  • (1S,4R,5S,8R,9R,11R,12S,13R,14R,16R,18S)-5,11-dihydroxy-9,16-dimethyl-8-(2-oxo-2H-pyran-5-yl)-15,17,20-trioxahexacyclo[14.3.1.114,18.01,13.04,12.05,9]henicosane-13-carbaldehyde
Other name (6)：
  • ブリョトキシンC
  • Bryotoxin C
  • ブリオトキシンC
  • 1β,3β,5-[(R)-Ethylidynetris(oxy)]-11α,14-dihydroxy-19-oxo-5β-bufa-20,22-dienolide
  • ブリオフィリンA
Show all
CAS registry number： 105608-32-0
KEGG COMPOUND： C08852
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