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Reference substances

Reference substances

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IUPAC name:
19-norpregn-4-en-20-yn-3-one, 17-hydroxy-7-methyl, (7alpha, 17alpha-)

Inventory

CAS number:
1162-60-3
Synonyms
Names:
Identifier:
PubChem
(8R,9S,10R,13S,14S)-17-ethynyl-17-hydroxy-7,13-dimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one

Molecular and structural information

Molecular formula:
C21H28O2
Molecular weight:
312.45
SMILES notation:
Canonical SMILES: CC1CC2=CC(=O)CCC2C3C1C4CCC(C4(CC3)C)(C#C)O
Isomeri SMILES: CC1CC2=CC(=O)CC[C@@H]2[C@@H]3[C@@H]1[C@@H]4CCC([C@]4(CC3)C)(C#C)O (positions 7 and 17 undefined)
InChl:
InChI=1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,12-13,16-19,23H,5-11H2,2-3H3/t13-,16+,17-,18+,19-,20+,21+/m1/s1
Structural formula:
Chemical structure

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