Chem
J-GLOBAL ID:200907036582703935   Nikkaji number:J146.192C

20-Oxo-5α,6α-epoxypregna-16-ene-3β-ol acetate

20-オキソ-5α,6α-エポキシプレグナ-16-エン-3β-オールアセタート
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: C23H32O4
Molecular formula furigana: C23-H32-O4
Molecular weight: 372.505
InChI: InChI=1S/C23H32O4/c1-13(24)17-5-6-18-16-11-20-23(27-20)12-15(26-14(2)25)7-10-22(23,4)19(16)8-9-21(17,18)3/h5,15-16,18-20H,6-12H2,1-4H3/t15-,16-,18-,19-,20-,21+,22+,23-/m0/s1
InChI key: UYNAMKNNUDDKNG-ZFNWETCLSA-N
SMILES: CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4C(=O)C)[C@@H]3C[C@@H]3O[C@]23C1
Systematic name  (4):
  • 5,6α-エポキシ-3β-(アセチルオキシ)-5α-プレグナ-16-エン-20-オン
  • 20-オキソ-5α,6α-エポキシプレグナ-16-エン-3β-オールアセタート
  • (1S,2R,5S,7R,9S,11S,12S,16S)-15-アセチル-2,16-ジメチル-8-オキサペンタシクロ[9.7.0.02,7.07,9.012,16]オクタデカ-14-エン-5-イル アセタート
  • (1S,2R,5S,7R,9S,11S,12S,16S)-15-acetyl-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-14-en-5-yl acetate
Other name (2):
  • 5,6α-Epoxy-3β-(acetyloxy)-5α-pregn-16-en-20-one
  • 20-Oxo-5α,6α-epoxypregna-16-ene-3β-ol acetate
CAS registry number: 14279-42-6
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