Name: Estrone-[d5] 3-Sulfate Sodium Salt
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-015062

CAS: 2734919-86-7

Molecular Formula: C18H16D5NaO5S

Molecular Weight: 377.44

Chemical Structure

Description	Estrone-[d5] 3-Sulfate Sodium Salt is the labelled impurity of Estrone. Estrone is one of the three naturally occurring estrogens, the others being estradiol and estriol.
Synonyms	Sodium (8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl-6,6,7,7,9-d5 sulfate; Estrone-3-Sulfate-d5 Sodium Salt; Estrone-d5 3-Sulfate Sodium Salt; Sodium estrone-d5 sulfate; Estrone-d5 sulfate sodium; Estrone sulfate-d5 (sodium)
IUPAC Name	sodium;[(8R,9S,13S,14S)-6,6,7,7,9-pentadeuterio-13-methyl-17-oxo-8,11,12,14,15,16-hexahydrocyclopenta[a]phenanthren-3-yl] sulfate
Related CAS	438-67-5 (unlabelled) 481-97-0 (unlabelled free base)
Canonical SMILES	[2H][C@]12CC[C@]3([C@H]([C@@H]1C(C(C4=C2C=CC(=C4)OS(=O)(=O)[O-])([2H])[2H])([2H])[2H])CCC3=O)C.[Na+]
InChI	InChI=1S/C18H22O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,15-,16+,18+;/m1./s1/i2D2,4D2,14D;
InChI Key	VUCAHVBMSFIGAI-DGSKSDKYSA-M
Purity	>95%
Storage	Store at 2-8 °C