Chem
J-GLOBAL ID:200907051640252077   Nikkaji number:J203.435B

16α,17-[(1-Phenylethylidene)bis(oxy)]pregn-4-ene-3,20-dione

16α,17-[(1-フェニルエチリデン)ビス(オキシ)]プレグナ-4-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: C29H36O4
Molecular formula furigana: C29-H36-O4
Molecular weight: 448.603
InChI: InChI=1S/C29H36O4/c1-18(30)29-25(32-28(4,33-29)19-8-6-5-7-9-19)17-24-22-11-10-20-16-21(31)12-14-26(20,2)23(22)13-15-27(24,29)3/h5-9,16,22-25H,10-15,17H2,1-4H3/t22-,23+,24+,25-,26+,27+,28?,29-/m1/s1
InChI key: AHBKIEXBQNRDNL-BXXPAUNWSA-N
SMILES: CC(=O)[C@@]12OC(C)(O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C)c1ccccc1
Systematic name  (3):
  • 16α,17-[(1-フェニルエチリデン)ビス(オキシ)]プレグナ-4-エン-3,20-ジオン
  • (1R,2S,4R,8S,9S,12S,13R)-8-アセチル-6,9,13-トリメチル-6-フェニル-5,7-ジオキサペンタシクロ[10.8.0.02,9.04,8.013,18]イコサ-17-エン-16-オン
  • (1R,2S,4R,8S,9S,12S,13R)-8-acetyl-6,9,13-trimethyl-6-phenyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one
Other name (1):
  • 16α,17-[(1-Phenylethylidene)bis(oxy)]pregn-4-ene-3,20-dione
CAS registry number: 1179-87-9
Regulation number (1):
  • EINECS2146494
KEGG COMPOUND: C14674
Thsaurus map:

Return to Previous Page