John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=I0Z89l7v6QU SpectraBase Spectrum ID=1K5oVbovNkp

(accessed ).
3-BENZYLOXY-12,12-ETHYLENEDIOXYESTRA-1,3,5(10)-TRIEN-17-BETA-OL
SpectraBase Compound ID I0Z89l7v6QU
InChI InChI=1S/C27H32O4/c1-26-24(11-12-25(26)28)22-9-7-19-15-20(29-17-18-5-3-2-4-6-18)8-10-21(19)23(22)16-27(26)30-13-14-31-27/h2-6,8,10,15,22-25,28H,7,9,11-14,16-17H2,1H3/t22-,23-,24+,25+,26+/m1/s1
InChIKey UBLIAMQTHBRIIZ-JMTTVTNBSA-N
Mol Weight 420.5 g/mol
Molecular Formula C27H32O4
Exact Mass 420.23006 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 1K5oVbovNkp
Name 3-BENZYLOXY-12,12-ETHYLENEDIOXYESTRA-1,3,5(10)-TRIEN-17-BETA-OL
Compound Number 14B
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H32O4
InChI InChI=1S/C27H32O4/c1-26-24(11-12-25(26)28)22-9-7-19-15-20(29-17-18-5-3-2-4-6-18)8-10-21(19)23(22)16-27(26)30-13-14-31-27/h2-6,8,10,15,22-25,28H,7,9,11-14,16-17H2,1H3/t22-,23-,24+,25+,26+/m1/s1
InChIKey UBLIAMQTHBRIIZ-JMTTVTNBSA-N
Literature Reference Author J.D.BANNISTER,D.G.BOURKE,D.J.COLLINS,C.L.DOHERTY,G.D.FALLON, Y.LIM,T.L.P.TING,B.R
Literature Reference Citation AUSTR.J.CHEM.,51,353(1998)
Literature Reference DOI 10.1071/C97147
Molecular Weight 420.549 g/mol
Solvent CDCl3
Source File Reference UWGE1768
SpectraBase Batch ID 14cpZBN0ReU