Chem
J-GLOBAL ID：201007034540715206   Nikkaji number：J2.794.636D

3,5-Cyclo-5α,17α-pregn-20-yne-6β,17-diol

3,5-シクロ-5α,17α-プレグナ-20-イン-6β,17-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： C21H30O2
Molecular formula furigana： C21-H30-O2
Molecular weight： 314.469
InChI： InChI=1S/C21H30O2/c1-4-20(23)10-7-15-14-11-17(22)21-12-13(21)5-8-19(21,3)16(14)6-9-18(15,20)2/h1,13-17,22-23H,5-12H2,2-3H3/t13-,14+,15+,16+,17-,18+,19-,20+,21+/m1/s1
InChI key： WKAFEMWJRKMDQQ-HCXFPXEYSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](C[C@@H](O)[C@]45C[C@H]4CC[C@]35C)[C@@H]1CC[C@@]2(O)C#C
Systematic name  (3)：
  • (3R,17R)-3,5-シクロ-5α-プレグナ-20-イン-6β,17-ジオール
  • (1S,2R,5R,7R,8R,10R,11S,14R,15S)-14-エチニル-2,15-ジメチルペンタシクロ[8.7.0.02,7.05,7.011,15]ヘプタデカン-8,14-ジオール
  • (1S,2R,5R,7R,8R,10R,11S,14R,15S)-14-ethynyl-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecane-8,14-diol
Other name (3)：
  • (3R,17R)-3,5-Cyclo-5α-pregna-20-yne-6β,17-diol
  • 3,5-Cyclo-5α,17α-pregn-20-yne-6β,17-diol
  • 3,5-シクロ-5α,17α-プレグナ-20-イン-6β,17-ジオール
CAS registry number： 7253-33-0
KEGG COMPOUND： C15468
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