Chem
J-GLOBAL ID：200907022264593321   Nikkaji number：J608.303J

12-Deoxyphorbol

12-デオキシホルボール
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： C20H28O5
Molecular formula furigana： C20-H28-O5
Molecular weight： 348.439
InChI： InChI=1S/C20H28O5/c1-10-5-14-18(23,16(10)22)8-12(9-21)6-13-15-17(3,4)19(15,24)7-11(2)20(13,14)25/h5-6,11,13-15,21,23-25H,7-9H2,1-4H3/t11-,13+,14-,15-,18-,19+,20-/m1/s1
InChI key： CBDIJHBGVGPIIE-MCDHERAVSA-N
SMILES： C[C@@H]1C[C@]2(O)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C
Systematic name  (3)：
  • 1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-デカヒドロ-4aβ,7bα,9aα-トリヒドロキシ-3-(ヒドロキシメチル)-1,1,6,8α-テトラメチル-5H-シクロプロパ[3,4]ベンゾ[1,2-e]アズレン-5-オン
  • (1R,2S,6R,10S,11R,13S,15R)-1,6,13-トリヒドロキシ-8-(ヒドロキシメチル)-4,12,12,15-テトラメチルテトラシクロ[8.5.0.02,6.011,13]ペンタデカ-3,8-ジエン-5-オン
  • (1R,2S,6R,10S,11R,13S,15R)-1,6,13-trihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyltetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one
Other name (3)：
  • 12-デオキシホルボール
  • 12-Deoxyphorbol
  • 1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-Decahydro-4aβ,7bα,9aα-trihydroxy-3-(hydroxymethyl)-1,1,6,8α-tetramethyl-5H-cyclopropa[3,4]benz[1,2-e]azulen-5-one
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