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5-alpha-pregnane-3,20-dione-[1,2,4,5,6,7-d6]

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General Information
Catalog: BLP-007129
Molecular Formula: C21H26D6O2
Molecular Weight: 322.52

Chemical Structure

Synonyms	5-alpha-pregnane-3,20-dione-1,2,4,5,6,7-D6
IUPAC Name	(5R,8R,9S,10S,13S,14S,17S)-17-acetyl-1,2,4,5,6,7-hexadeuterio-10,13-dimethyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Related CAS	566-65-4 (unlabelled)
Canonical SMILES	CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C
InChI	InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16+,17-,18+,19+,20+,21-/m1/s1/i4D,5D,8D,10D,12D,14D/t4?,5?,8?,10?,12?,14-,16+,17-,18+,19+,20+,21-
InChI Key	XMRPGKVKISIQBV-SXEWVHEUSA-N
Purity	98% by CP; 95% atom D
Storage	Store at -20°C