John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=HXsuVVAJmNt SpectraBase Spectrum ID=10arO0CV4WY

(accessed ).
5-BENZYLOXYMETHYL-5,9-DIMETHYL-13-ALPHA,14-BETA-DITOSYLOXYMETHYL-16-ISOPROPYL-TETRACYCLO-[10.2.2.0(1,10).0(4,9)]-HEXADEC-15-ENE
SpectraBase Compound ID HXsuVVAJmNt
InChI InChI=1S/C45H58O7S2/c1-31(2)38-26-45-24-21-41-43(5,30-50-27-34-11-8-7-9-12-34)22-10-23-44(41,6)42(45)25-37(38)39(28-51-53(46,47)35-17-13-32(3)14-18-35)40(45)29-52-54(48,49)36-19-15-33(4)16-20-36/h7-9,11-20,26,31,37,39-42H,10,21-25,27-30H2,1-6H3/t37-,39-,40+,41?,42?,43-,44-,45+/m0/s1
InChIKey PDXBBCCHSANPQN-LZGPGIKQSA-N
Mol Weight 775.1 g/mol
Molecular Formula C45H58O7S2
Exact Mass 774.362398 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 10arO0CV4WY
Name 5-BENZYLOXYMETHYL-5,9-DIMETHYL-13-ALPHA,14-BETA-DITOSYLOXYMETHYL-16-ISOPROPYL-TETRACYCLO-[10.2.2.0(1,10).0(4,9)]-HEXADEC-15-ENE
Compound Number XII
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H58O7S2
InChI InChI=1S/C45H58O7S2/c1-31(2)38-26-45-24-21-41-43(5,30-50-27-34-11-8-7-9-12-34)22-10-23-44(41,6)42(45)25-37(38)39(28-51-53(46,47)35-17-13-32(3)14-18-35)40(45)29-52-54(48,49)36-19-15-33(4)16-20-36/h7-9,11-20,26,31,37,39-42H,10,21-25,27-30H2,1-6H3/t37-,39-,40+,41?,42?,43-,44-,45+/m0/s1
InChIKey PDXBBCCHSANPQN-LZGPGIKQSA-N
Literature Reference Author A.G.TOLSTIKOV,N.N.KARPYSHEV,O.V.TOLSTIKOVA,T.B.KHLEBNIKOVA,G .E.SALNIKOV,V.I.MAMA
Literature Reference Citation RUSS.J.ORG.CHEM.,37,1134(2001)
Literature Reference DOI 10.1023/A:1013144431609
Molecular Weight 775.071 g/mol
Solvent CDCl3
Source File Reference UWVN5616
SpectraBase Batch ID 6hZUXv35gmQ