Chem
J-GLOBAL ID：200907089745176446   Nikkaji number：J1.352.561G

12-Deoxy-16-hydroxyphorbol

12-デオキシ-16-ヒドロキシホルボール
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： C20H28O6
Molecular formula furigana： C20-H28-O6
Molecular weight： 364.438
InChI： InChI=1S/C20H28O6/c1-10-4-14-18(24,16(10)23)7-12(8-21)5-13-15-17(3,9-22)19(15,25)6-11(2)20(13,14)26/h4-5,11,13-15,21-22,24-26H,6-9H2,1-3H3/t11-,13+,14-,15-,17?,18-,19+,20-/m1/s1
InChI key： XDOXADBJFQBBMY-JZHRCRMDSA-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)CO
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-1,3-ビス(ヒドロキシメチル)-1,6,8α-トリメチル-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-8,12-ビス(ヒドロキシメチル)-4,12,15-トリ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-8,12-bis(hydroxymethyl)-4,12,15-trimethyltetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one
Other name (3)：
  • 1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-Decahydro-4aβ,7bα,9aα-trihydroxy-1,3-bis(hydroxymethyl)-1,6,8α-trimethyl-5H-cyclopropa[3,4]benzo[1,2-e]azulene-5-one
  • 12-デオキシ-16-ヒドロキシホルボール
  • 12-Deoxy-16-hydroxyphorbol
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