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Reference substances

Reference substances

IUPAC name:
(1R,3aS,3bR,9aR,9bS,11aS)-1-ethynyl-1-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one

Inventory

CAS number:
31528-46-8
Synonyms
Names:
Identifier:
PubChem
(17alpha)-17-Hydroxy-19-norpregna-4,6-dien-20-yn-3-one
Identifier:
other: name
6,7-Dehydro Norethindrone
(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Molecular and structural information

Molecular formula:
C20H24O2
Molecular weight:
296.4
SMILES notation:
Canonical: CC12CCC3C4CCC(=O)C=C4C=CC3C1CCC2(C#C)O
Isomeric: C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C=C[C@H]3[C@@H]1CC[C@]2(C#C)O
InChl:
InChI=1S/C20H24O2/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/h1,4,6,12,15-18,22H,5,7-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1
Structural formula:
Chemical structure

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