Chem
J-GLOBAL ID：201007048684278456   Nikkaji number：J2.791.492F

3-Methoxy-16-octylestra-1,3,5(10)-triene-16β,17β-diol

3-メトキシ-16-オクチルエストラ-1,3,5(10)-トリエン-16β,17β-ジオール
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： C27H42O3
Molecular formula furigana： C27-H42-O3
Molecular weight： 414.630
InChI： InChI=1S/C27H42O3/c1-4-5-6-7-8-9-15-27(29)18-24-23-12-10-19-17-20(30-3)11-13-21(19)22(23)14-16-26(24,2)25(27)28/h11,13,17,22-25,28-29H,4-10,12,14-16,18H2,1-3H3/t22-,23-,24+,25-,26+,27+/m1/s1
InChI key： OPESDBSJPSZDIT-PJZCFIFPSA-N
SMILES： CCCCCCCC[C@]1(O)C[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@]2(C)[C@H]1O
Systematic name  (3)：
  • 3-メトキシ-16-オクチルエストラ-1,3,5(10)-トリエン-16β,17β-ジオール
  • (1R,2S,3aS,3bR,9bS,11aS)-7-メトキシ-11a-メチル-2-オクチル-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1,2-ジオール
  • (1R,2S,3aS,3bR,9bS,11aS)-7-methoxy-11a-methyl-2-octyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,2-diol
Other name (1)：
  • 3-Methoxy-16-octylestra-1,3,5(10)-triene-16β,17β-diol
KEGG COMPOUND： C14994
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM