Chem
J-GLOBAL ID：201007088972489536   Nikkaji number：J2.791.475F

11α-Acetoxy-5,6α-epoxy-5α-pregnane-3,20-dione bis(ethylene acetal)

11α-アセトキシ-5,6α-エポキシ-5α-プレグナン-3,20-ジオンビス(エチレンアセタール)
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： C27H40O7
Molecular formula furigana： C27-H40-O7
Molecular weight： 476.610
InChI： InChI=1S/C27H40O7/c1-16(28)33-19-14-23(2)18(5-6-20(23)25(4)29-9-10-30-25)17-13-21-27(34-21)15-26(31-11-12-32-26)8-7-24(27,3)22(17)19/h17-22H,5-15H2,1-4H3/t17-,18-,19+,20-,21-,22+,23-,24+,27-/m0/s1
InChI key： RIHYEPXTXIUQGL-IMCUMJJXSA-N
SMILES： CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H]2C2(C)OCCO2)[C@@H]2C[C@@H]3O[C@]43CC3(CC[C@]4(C)[C@@H]12)OCCO3
Systematic name  (3)：
  • 11α-アセトキシ-5,6α-エポキシ-5α-プレグナン-3,20-ジオンビス(エチレンアセタール)
  • (1'S,2'R,7'R,9'S,11'S,12'S,15'S,16'S,18'R)-2',16'-ジメチル-15'-(2-メチル-1,3-ジオキソラン-2-イル)-8'-オキサスピロ[1,3-ジオキソラン-2,5'-ペンタシクロ[9.7.0.02,7.07,9.012,16]オクタデカン]-18'-イル アセタート
  • (1'S,2'R,7'R,9'S,11'S,12'S,15'S,16'S,18'R)-2',16'-dimethyl-15'-(2-methyl-1,3-dioxolan-2-yl)-8'-oxaspiro[1,3-dioxolane-2,5'-pentacyclo[9.7.0.02,7.07,9.012,16]octadecan]-18'-yl acetate
Other name (2)：
  • 11α-Acetoxy-5,6α-epoxy-5α-pregnane-3,20-dione bis(ethylene acetal)
  • Cyclic-3,20-bis(1,2-ethanediyl acetal)-11α-(acetyloxy)-5α,6α-epoxypregnane-3,20-dione
KEGG COMPOUND： C14990
Thsaurus map：
Thesaurus Map

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