estradiol 3-sulphate
Molecular Formula:
C18H24O5S
InChI: InChI=1/C18H24O5S/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)/t14-,15-,16+,17+,18+/m1/s1/f/h20H
InChIKey: InChIKey=QZIGLSSUDXBTLJ-UELNCLFHDZ
SMILES: [H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc4cc(OS(O)(=O)=O)ccc24
CAS number 481-96-9
Names:
C08357
estradiol 3-sulphate
Estradiol-17beta 3-sulfate
estradiol-3-sulfate
(8S,9S,13S,14S,17S)-17-hydroxy-13-methyl-3-sulfooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
17beta-estradiol 3-sulfate
Registries:
PubChem CID 66416
Beilstein =3220773
CAS 481-96-9 (from NIST)
ChEBI 4866
Kegg C08357
PubChem ID 10554
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