For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

4-METHYLESTRA-1,3,5(10)-TRIEN-17-BETA-YL-ACETAT

View entire compound with spectra: 2 NMR

4-METHYLESTRA-1,3,5(10)-TRIEN-17-BETA-YL-ACETAT
SpectraBase Compound ID EUH5Nwdq5P8
InChI InChI=1S/C21H28O2/c1-13-5-4-6-16-15(13)7-8-18-17(16)11-12-21(3)19(18)9-10-20(21)23-14(2)22/h4-6,17-20H,7-12H2,1-3H3/t17-,18-,19+,20+,21+/m1/s1
InChIKey ZQRBXWQTEQHHFD-MJCUULBUSA-N
Mol Weight 312.45 g/mol
Molecular Formula C21H28O2
Exact Mass 312.20893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Js1qYQEuEJ6
Name 4-Methylestra-1,3,5(10)-trien-17β-ol, acetate
Source of Sample J. W. Blunt, J. B. Stothers Org. Magn. Resonance 9, 439(1977)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O2
InChI InChI=1S/C21H28O2/c1-13-5-4-6-16-15(13)7-8-18-17(16)11-12-21(3)19(18)9-10-20(21)23-14(2)22/h4-6,17-20H,7-12H2,1-3H3/t17-,18-,19+,20+,21+/m1/s1
InChIKey ZQRBXWQTEQHHFD-MJCUULBUSA-N
Molecular Weight 312.46
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Not Reported