Chem
J-GLOBAL ID：200907029764527508   Nikkaji number：J42.500A

(17R)-19-Norpregn-5(10)-en-20-yne-3α,17-diol

17α-エチニルエストラ-5(10)-エン-3α,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： C20H28O2
Molecular formula furigana： C20-H28-O2
Molecular weight： 300.442
InChI： InChI=1S/C20H28O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,14,16-18,21-22H,4-12H2,2H3/t14-,16-,17-,18+,19+,20+/m1/s1
InChI key： XSQAQKNJHGGMRV-KXMHTTHWSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CCC4=C3CC[C@@H](O)C4)[C@@H]1CC[C@@]2(O)C#C
Systematic name  (4)：
  • 17α-エチニルエストラ-5(10)-エン-3α,17β-ジオール
  • (17R)-19-ノルプレグナ-5(10)-エン-20-イン-3α,17-ジオール
  • (1R,3aS,3bR,7R,9bS,11aS)-1-エチニル-11a-メチル-1H,2H,3H,3aH,3bH,4H,5H,6H,7H,8H,9H,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1,7-ジオール
  • (1R,3aS,3bR,7R,9bS,11aS)-1-ethynyl-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,6H,7H,8H,9H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
Other name (1)：
  • (17R)-19-Norpregn-5(10)-en-20-yne-3α,17-diol
CAS registry number： 21466-08-0
Regulation number (1)：
  • RC8961550
KEGG COMPOUND： C14652
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