Product Code

TRC-E888825

CAS Number

4999-79-5

Product Format

Neat

Molecular Formula

C18 H23 O5 S . Na

Molecular Weight

374.43

API Family

Estradiol

Product Type

Bioactive Small Molecule

Alternate CAS Number

Free acid: 481-96-9

Purity

>95% (HPLC)

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

17beta-Estradiol 3-O-Sulfate Sodium

CAS Number

4999-79-5

Molecular Formula

C18 H23 O5 S . Na

Molecular Weight

374.43

Accurate Mass

374.1164

SMILES

[Na+].C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(=O)(=O)[O-])ccc34)[C@@H]1CC[C@@H]2O

InChI

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

IUPAC

sodium;[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfate

Alternate CAS Number

Free acid: 481-96-9

Product Data

Storage Temperature

-20°C

Shipping Temperature

Blue Ice

Country of Origin

CANADA

Product Format

Neat

API Family

Estradiol

Purity

>95% (HPLC)

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17beta-Estradiol 3-O-Sulfate Sodium

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