17?-Estradiol disulfate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H24O8S2
Molecular Weight	432.508
Optical Activity	( + )
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=CC(OS(O)(=O)=O)=CC=C34)[C@@H]1CC[C@@H]2OS(O)(=O)=O

InChI

InChIKey=VPLAJGAMHNQZIY-ZBRFXRBCSA-N

InChI=1S/C18H24O8S2/c1-18-9-8-14-13-5-3-12(25-27(19,20)21)10-11(13)2-4-15(14)16(18)6-7-17(18)26-28(22,23)24/h3,5,10,14-17H,2,4,6-9H2,1H3,(H,19,20,21)(H,22,23,24)/t14-,15-,16+,17+,18+/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

17?-Estradiol disulfate

Common Name

English

Estradiol disulfate

Preferred Name

English

17?-Estradiol 3,17-disulfate

Common Name

English

[(8r,9s,13s,14s,17s)-13-methyl-3-sulfooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate

Systematic Name

English

Estradiol 3,17?-disulfate

Common Name

English

Estra-1,3,5(10)-triene-3,17-diol (17?)-, 3,17-bis(hydrogen sulfate)

Systematic Name

English

[(1S,3aS,3bR,9bS,11aS)-11a-methyl-7-(sulfooxy)-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]oxidanesulfonic acid

Systematic Name

English

Code System Code Type Description

WIKIPEDIA

Estradiol disulfate