Metabolites-Aladdin Scientific

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estrone-3-sulphate, Inhibitor of OATP1B1
- ≥98%
Cas#: 481-97-0 Compound CID: 3001028

Formula: C₁₈H₂₂O₅S Molecular Weight: 350.43

IUPAC Name: [(1S,10R,11S,15S)-15-methyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-5-yl]oxidanesulfonic acid

SMILES: O=C1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)OS(=O)(=O)O

InChIKey: JKKFKPJIXZFSSB-CBZIJGRNSA-N

InChI: InChI=1S/C18H22O5S/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/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1
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