Chem
J-GLOBAL ID：200907042297390982   Nikkaji number：J12.024C

Marinobufagenin

マリノブファゲニン
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： C24H32O5
Molecular formula furigana： C24-H32-O5
Molecular weight： 400.515
InChI： InChI=1S/C24H32O5/c1-21-8-5-15(25)12-23(21,27)10-7-17-16(21)6-9-22(2)18(11-19-24(17,22)29-19)14-3-4-20(26)28-13-14/h3-4,13,15-19,25,27H,5-12H2,1-2H3/t15-,16-,17+,18+,19+,21+,22+,23-,24+/m0/s1
InChI key： JMNQTHQLNRILMH-OBBGIPBRSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@]31O[C@@H]3C[C@@H]2c1ccc(=O)oc1
Systematic name  (5)：
  • 3β,5-ジヒドロキシ-14,15β-エポキシ-5β-ブファ-20,22-ジエノリド
  • 14,15β-エポキシ-3β,5-ジヒドロキシ-5β-ブファ-20,22-ジエノリド
  • 3β,5β-ジヒドロキシ-14β,15β-エポキシブファ-20,22-ジエノリド
  • 5-[(1R,2S,4R,6R,7R,10S,11R,14S,16S)-14,16-ジヒドロキシ-7,11-ジメチル-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-6-イル]-2H-ピラン-2-オン
  • 5-[(1R,2S,4R,6R,7R,10S,11R,14S,16S)-14,16-dihydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]-2H-pyran-2-one
Other name (9)：
  • マリノブファギン
  • Marinobufagin
  • マリノブホゲニン
  • Marinobufogenin
  • 14,15β-Epoxy-3β,5-dihydroxy-5β-bufa-20,22-dienolide
Show all
CAS registry number： 470-42-8
Regulation number (1)：
  • EI2963000
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