Chem
J-GLOBAL ID：200907021250346953   Nikkaji number：J128.623D

Tixocortol pivalate

チキソコルトールピバラート
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： C26H38O5S
Molecular formula furigana： C26-H38-O5-S
Molecular weight： 462.650
InChI： InChI=1S/C26H38O5S/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h12,17-19,21,28,31H,6-11,13-14H2,1-5H3/t17-,18-,19-,21+,24-,25-,26-/m0/s1
InChI key： BISFDZNIUZIKJD-XDANTLIUSA-N
SMILES： CC(C)(C)C(=O)SCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
Systematic name  (3)：
  • 21-[(2,2-ジメチル-1-オキソプロピル)チオ]-11β,17-ジヒドロキシプレグナ-4-エン-3,20-ジオン
  • (1R,3aS,3bS,9aR,9bS,10S,11aS)-1-{2-[(2,2-ジメチルプロパノイル)スルファニル]アセチル}-1,10-ジヒドロキシ-9a,11a-ジメチル-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-オン
  • (1R,3aS,3bS,9aR,9bS,10S,11aS)-1-{2-[(2,2-dimethylpropanoyl)sulfanyl]acetyl}-1,10-dihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (6)：
  • ピバロン
  • チキソコルトールピバラート
  • JO-1016
  • Pivalone
  • Tixocortol pivalate
Show all
CAS registry number： 55560-96-8
Regulation number (1)：
  • EINECS2597064
KEGG DRUG： D06171
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