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Estradiol-3-sulfate , CAS No.481-96-9
Basic Description
Synonyms | Estradiol-3-sulfate | Estradiol-17beta 3-sulfate | Estradiol 3-sulphate | 17beta-estradiol 3-sulfate | CHEBI:4866 | 4NKQ3751P6 | [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate | |
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Associated Targets(Human)
Associated Targets(non-human)
Names and Identifiers
IUPAC Name | [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate |
INCHI | InChI=1S/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 |
InChi Key | QZIGLSSUDXBTLJ-ZBRFXRBCSA-N |
Canonical SMILES | CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OS(=O)(=O)O |
Isomeric SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OS(=O)(=O)O |
PubChem CID | 66416 |
Molecular Weight | 352.4 |
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