Estra-1,3,5,7,9-pentaene-3,17-diol, 3-(hydrogen sulfate), monosodium salt, (17α)-
CAS Registry Number®
56086-66-9
CAS Name
Estra-1,3,5,7,9-pentaene-3,17-diol, 3-(hydrogen sulfate), monosodium salt, (17α)-Molecular Formula
C18H20O5S.NaCite this Page
Estra-1,3,5,7,9-pentaene-3,17-diol, 3-(hydrogen sulfate), monosodium salt, (17α)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=56086-66-9 (retrieved ) (CAS RN: 56086-66-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C18H20O5S.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;/h2-5,10,16-17,19H,6-9H2,1H3,(H,20,21,22);/t16-,17+,18-;/m0./s1
InChIKey
InChIKey=JQXNMPDKNMGRNY-RXQQAGQTSA-N
SMILES
C[C@@]12[C@](C=3C(=C4C(=CC3)C=C(OS(=O)(=O)O)C=C4)CC1)(CC[C@H]2O)[H].[Na]
Canonical SMILES
[Na].O=S(=O)(O)OC1=CC=C2C(C=CC3=C2CCC4(C)C(O)CCC34)=C1
Other Names for this Substance
- Estra-1,3,5,7,9-pentaene-3,17-diol, 3-(hydrogen sulfate), monosodium salt, (17α)-
- 17α-Dihydroequilenin sodium sulfate
