(6α,17α)-6,17-Dihydroxy-19-norpregn-4-en-20-yn-3-one - CAS 438244-33-8
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Catalog Number: R020968
CAS Number: 438244-33-8
PubChem Substance ID:355058136
Molecular Formula: C20H26O3
Molecular Weight:314.425
Purity: ≥95%
* For research use only. Not for human or veterinary use.
Synonym
Synonyms | (6S,8R,9S,10R,13S,14S,17R)-17-Ethynyl-6,17-dihydroxy-13-methyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one |
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Property
Molecular Formula: | C20H26O3 |
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Molecular Weight | 314.425 |
Purity | ≥95% |
Storage | -20°C |
Computed Descriptor
IUPAC Name | (6S,8R,9S,10R,13S,14S,17R)-17-ethynyl-6,17-dihydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one |
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InChI | InChI=1S/C20H26O3/c1-3-20(23)9-7-17-15-11-18(22)16-10-12(21)4-5-13(16)14(15)6-8-19(17,20)2/h1,10,13-15,17-18,22-23H,4-9,11H2,2H3/t13-,14-,15-,17+,18+,19+,20+/m1/s1 |
InChIKey | RONQVEAZNZIVHW-KLEXHFHZSA-N |
SMILES | CC12CCC3C4CCC(=O)C=C4C(CC3C1CCC2(C#C)O)O |