Chem
J-GLOBAL ID：200907090058986142   Nikkaji number：J697.386H

Cortisol 21-sulfate

コルチソール21-スルファート
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： C21H30O8S
Molecular formula furigana： C21-H30-O8-S
Molecular weight： 442.520
InChI： InChI=1S/C21H30O8S/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H,26,27,28)/t14-,15-,16-,18+,19-,20-,21-/m0/s1
InChI key： JOVLCJDINAUYJW-VWUMJDOOSA-N
SMILES： C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COS(=O)(=O)O
Systematic name  (4)：
  • コルチソール21-スルファート
  • 硫酸11β,17-ジヒドロキシ-3,20-ジオキソプレグナ-4-エン-21-イル
  • {2-[(1R,3aS,3bS,9aR,9bS,10S,11aS)-1,10-ジヒドロキシ-9a,11a-ジメチル-7-オキソ-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-1-イル]-2-オキソエトキシ}スルホン酸
  • {2-[(1R,3aS,3bS,9aR,9bS,10S,11aS)-1,10-dihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethoxy}sulfonic acid
Other name (2)：
  • Cortisol 21-sulfate
  • Sulfuric acid 11β,17-dihydroxy-3,20-dioxopregna-4-ene-21-yl ester
CAS registry number： 1253-43-6
KEGG COMPOUND： C02822
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