1,3,5[10]-Estratriene-3,17beta-Diol 3-Sulfate Sodium Salt
[CAS# 4999-79-5]

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Identification
Name	1,3,5[10]-Estratriene-3,17beta-Diol 3-Sulfate Sodium Salt
Synonyms	Estradiol, 3-Hydrogen Sulfate Sodium Salt

Molecular Structure
Molecular Formula	C₁₈H₂₃NaO₅S
Molecular Weight	374.43
CAS Registry Number	4999-79-5
SMILES	[C@H]23[C@H]1[C@@]([C@@H](O)CC1)(CC[C@@H]2C4=C(CC3)C=C(O[S]([O-])(=O)=O)C=C4)C.[Na+]
InChI	1S/C18H24O5S.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;/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,15-,16+,17+,18+;/m1./s1
InChIKey	LMJQCTISQYSLPF-CMZLOHJFSA-M

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1,3,5[10]-Estratriene-3,17beta-Diol 3-Sulfate Sodium Salt[CAS# 4999-79-5]