Chem
J-GLOBAL ID:200907051036588709   Nikkaji number:J349.137D

6α,9-Difluoro-11β,17-dihydroxy-21-(phosphonooxy)pregna-1,4-diene-3,20-dione

6α,9-ジフルオロ-11β,17-ジヒドロキシ-21-(ホスホノオキシ)プレグナ-1,4-ジエン-3,20-ジオン
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: C21H27F2O8P
Molecular formula furigana: C21-H27-F2-O8-P
Molecular weight: 476.410
InChI: InChI=1S/C21H27F2O8P/c1-18-5-3-11(24)7-14(18)15(22)8-13-12-4-6-20(27,17(26)10-31-32(28,29)30)19(12,2)9-16(25)21(13,18)23/h3,5,7,12-13,15-16,25,27H,4,6,8-10H2,1-2H3,(H2,28,29,30)/t12-,13-,15-,16-,18-,19-,20-,21-/m0/s1
InChI key: PTFJOVUOXOHPIW-RBKZJGKHSA-N
SMILES: C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)(O)O
Systematic name  (3):
  • 6α,9-ジフルオロ-11β,17-ジヒドロキシ-21-(ホスホノオキシ)プレグナ-1,4-ジエン-3,20-ジオン
  • {2-[(1R,3aS,3bS,5S,9aS,9bR,10S,11aS)-5,9b-ジフルオロ-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,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}ホスホン酸
  • {2-[(1R,3aS,3bS,5S,9aS,9bR,10S,11aS)-5,9b-difluoro-1,10-dihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethoxy}phosphonic acid
Other name (1):
  • 6α,9-Difluoro-11β,17-dihydroxy-21-(phosphonooxy)pregna-1,4-diene-3,20-dione
CAS registry number: 57331-14-3
Regulation number (1):
  • EINECS2606838
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