Estra-1,3,5(10)-triene-3,17-diol, 3-(hydrogen sulfate), sodium salt (1:1), (17α)-
CAS Registry Number®
56050-04-5
CAS Name
Estra-1,3,5(10)-triene-3,17-diol, 3-(hydrogen sulfate), sodium salt (1:1), (17α)-Molecular Formula
C18H24O5S.NaCite this Page
Estra-1,3,5(10)-triene-3,17-diol, 3-(hydrogen sulfate), sodium salt (1:1), (17α)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=56050-04-5 (retrieved ) (CAS RN: 56050-04-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C18H24O5S.Na/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
InChIKey
InChIKey=RUVRVMKBSLGUND-JOWXCZTESA-N
SMILES
C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OS(=O)(=O)O)=CC4)(CC1)[H])[H])(CC[C@H]2O)[H].[Na]
Canonical SMILES
[Na].O=S(=O)(O)OC1=CC=C2C(=C1)CCC3C2CCC4(C)C(O)CCC34
Other Names for this Substance
- Estra-1,3,5(10)-triene-3,17-diol, 3-(hydrogen sulfate), sodium salt (1:1), (17α)-
- Estra-1,3,5(10)-triene-3,17-diol, 3-(hydrogen sulfate), monosodium salt, (17α)-
- 17α-Estradiol sodium sulfate
- 17α-Acetoxy-3-sulfatoxy-estra-1,3,5(10)-triene sodium salt
