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Pregnanetriol-[20,21,21,21-d4]

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General Information
Catalog: BLP-007135
Molecular Formula: C21H32D4O3
Molecular Weight: 340.53

Chemical Structure

Synonyms	5b-pregnan-3a,17a,20-triol-20,21,21,21-D4
IUPAC Name	(3R,5R,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-17-(1,2,2,2-tetradeuterio-1-hydroxyethyl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
Related CAS	1098-45-9 (unlabelled)
Canonical SMILES	CC(C1(CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O)O
InChI	InChI=1S/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3/t13?,14-,15-,16-,17+,18+,19+,20+,21+/m1/s1/i1D3,13D
InChI Key	SCPADBBISMMJAW-GVNXEIMNSA-N
Melting Point	204-209°C
Purity	98% by CP; 98% atom D
Solubility	Soluble in DMSO, Methanol
Appearance	White to Off-white Solid
Storage	Store at -20°C, Under Inert Atmosphere