Chem
J-GLOBAL ID：201007072219097249   Nikkaji number：J2.793.250I

3β-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester

(3β-ヒドロキシ-20-オキソプレグナ-5-エン-16-イル)ホスホン酸エチル
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： C23H37O5P
Molecular formula furigana： C23-H37-O5-P
Molecular weight： 424.518
InChI： InChI=1S/C23H37O5P/c1-5-28-29(26,27)20-13-19-17-7-6-15-12-16(25)8-10-22(15,3)18(17)9-11-23(19,4)21(20)14(2)24/h6,16-21,25H,5,7-13H2,1-4H3,(H,26,27)/t16-,17+,18-,19-,20?,21-,22-,23-/m0/s1
InChI key： YTHYJGZYFUJIFJ-NIPOZLBPSA-N
SMILES： CCOP(=O)(O)C1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(=O)C
Systematic name  (3)：
  • (3β-ヒドロキシ-20-オキソプレグナ-5-エン-16-イル)ホスホン酸エチル
  • [(1S,3aS,3bS,7S,9aR,9bS,11aS)-1-アセチル-7-ヒドロキシ-9a,11a-ジメチル-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-2-イル](エトキシ)ホスフィン酸
  • [(1S,3aS,3bS,7S,9aR,9bS,11aS)-1-acetyl-7-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl](ethoxy)phosphinic acid
Other name (3)：
  • (3β-Hydroxy-20-oxopregna-5-ene-16-yl)phosphonic acid ethyl ester
  • 3β-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester
  • (3β-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester
KEGG COMPOUND： C15173
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