Estra-1,3,5(10)-triene-3,17-diol, 17-(hydrogen butanedioate)
CAS Registry Number®
93939-81-2
CAS Name
Estra-1,3,5(10)-triene-3,17-diol, 17-(hydrogen butanedioate)Molecular Formula
C22H28O5Molecular Mass
372.45Cite this Page
Estra-1,3,5(10)-triene-3,17-diol, 17-(hydrogen butanedioate). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=93939-81-2 (retrieved ) (CAS RN: 93939-81-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C22H28O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h3,5,12,16-19,23H,2,4,6-11H2,1H3,(H,24,25)/t16-,17-,18+,19?,22+/m1/s1
InChIKey
InChIKey=YJPIDPAGJSWWBE-MCIJPOSHSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(O)=CC4)(CC1)[H])[H])(CCC2OC(CCC(O)=O)=O)[H]
Canonical SMILES
O=C(O)CCC(=O)OC1CCC2C3CCC4=CC(O)=CC=C4C3CCC12C
Other Names for this Substance
- Estra-1,3,5(10)-triene-3,17-diol, 17-(hydrogen butanedioate)