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Gestodene-[d6]

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General Information
Catalog: BLP-012370
CAS: 1542211-40-4
Molecular Formula: C21H20D6O2
Molecular Weight: 316.47

Chemical Structure

Description	Gestodene-[d6] is the labelled analogue of Gestodene. Gestodene is a progestin approved in Europe used as a contraceptive in combination with estrogen ethinylestradiol.
Synonyms	Gestodene D6; 13-ethyl-17alpha-hydroxy-18,19-dinorpregna-4,15-dien-20-yn-3-one-2,2,4,6,6,10-d6
IUPAC Name	(8R,9S,10R,13S,14S,17R)-2,2,4,6,6,10-hexadeuterio-13-ethyl-17-ethynyl-17-hydroxy-7,8,9,11,12,14-hexahydro-1H-cyclopenta[a]phenanthren-3-one
Related CAS	60282-87-3 (unlabelled)
Canonical SMILES	CCC12CCC3C(C1C=CC2(C#C)O)CCC4=CC(=O)CCC34
InChI	InChI=1S/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1/i5D2,6D2,13D,16D
InChI Key	SIGSPDASOTUPFS-PWFLSJGKSA-N
Melting Point	200-202°C
Purity	95% by HPLC; 95% atom D
Appearance	Off-White to Pale Yellow Solid