Estriol trisulfate trisodium salt supplier

Name
ESTRIOL TRISULFATE TRISODIUM SALT
EINECS 604-604-1
CAS No. 100940-55-4
Density
Solubility
Melting Point >300°C
Formula C₁₈H₂₁Na₃O₁₂S₃
Boiling Point
Molecular Weight 594.52
Flash Point
Transport Information
Appearance
Safety 22-36
Risk Codes 40
Molecular Structure
Hazard Symbols Xn
Synonyms Estriol trisulfate trisodium salt;
PSA 224.43000
LogP 3.92480

Estriol trisulfate trisodium salt Specification

The systematic name of Estriol trisulfate trisodium salt is trisodium [(8R,9S,13S,14S,16R,17R)-13-methyl-3,16-disulfonatooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] sulfate. With the CAS registry number 100940-55-4, it is also named as Estra-1,3,5[10]-triene-3,16,17-triol tris(hydrogensulfate) trisodium salt. The product's category is Steroids. In addition, its molecular formula is C₁₈H₂₁Na₃O₁₂S₃ and molecular weight is 594.52.

People can use the following data to convert to the molecule structure.
(1)SMILES: C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+].[Na+]
(2)InChI: InChI=1/C18H24O12S3.3Na/c1-18-7-6-13-12-5-3-11(28-31(19,20)21)8-10(12)2-4-14(13)15(18)9-16(29-32(22,23)24)17(18)30-33(25,26)27;;;/h3,5,8,13-17H,2,4,6-7,9H2,1H3,(H,19,20,21)(H,22,23,24)(H,25,26,27);;;/q;3*+1/p-3/t13-,14-,15+,16-,17+,18+;;;/m1.../s1
(3)InChIKey: ACUPNXAJMLSZES-KWQMXJOKBK
(4)Std. InChI: InChI=1S/C18H24O12S3.3Na/c1-18-7-6-13-12-5-3-11(28-31(19,20)21)8-10(12)2-4-14(13)15(18)9-16(29-32(22,23)24)17(18)30-33(25,26)27;;;/h3,5,8,13-17H,2,4,6-7,9H2,1H3,(H,19,20,21)(H,22,23,24)(H,25,26,27);;;/q;3*+1/p-3/t13-,14-,15+,16-,17+,18+;;;/m1.../s1
(5)Std. InChIKey: ACUPNXAJMLSZES-NXOIHXQRSA-K

Product Name

ESTRIOL TRISULFATE TRISODIUM SALT

Estriol trisulfate trisodium salt Specification

Related Products

Hot Products