Chem
J-GLOBAL ID：201007035781874786   Nikkaji number：J2.790.509I

(16R,17S)-16,17-[[1-(2-Furanyl)ethylidene]bis(oxy)]pregna-4-ene-3,20-dione

(16R,17S)-16,17-[[1-(2-フラニル)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： C27H34O5
Molecular formula furigana： C27-H34-O5
Molecular weight： 438.564
InChI： InChI=1S/C27H34O5/c1-16(28)27-23(31-26(4,32-27)22-6-5-13-30-22)15-21-19-8-7-17-14-18(29)9-11-24(17,2)20(19)10-12-25(21,27)3/h5-6,13-14,19-21,23H,7-12,15H2,1-4H3/t19-,20+,21+,23-,24+,25+,26?,27-/m1/s1
InChI key： PDWGBWJIJZYLQQ-IIJNRFJRSA-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)c1ccco1
Systematic name  (3)：
  • (16R,17S)-16,17-[[1-(2-フラニル)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-(フラン-2-イル)-6,9,13-トリメチル-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-(furan-2-yl)-6,9,13-trimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one
Other name (2)：
  • (16R,17S)-16,17-[[1-(2-Furanyl)ethylidene]bis(oxy)]pregna-4-ene-3,20-dione
  • 16α,17-Dihydroxypregn-4-ene-3,20-dione cyclic acetal with 2-furyl methyl ketone
CAS registry number： 7148-96-1
KEGG COMPOUND： C14880
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