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

*Links on SpectraBase are not permalinks.
(7-BETA)-11,12-O-(3-(1-(4-NITROBENZYL)-1H-1,2,3-TRIAZOL-4-YL)-PROPANOYLOXY)-7,20-EPOXYABIETA-8,11,13-TRIEN-20-ONE
SpectraBase Compound ID 5PnUyCzOLvl
InChI InChI=1S/C44H46N8O10/c1-26(2)33-20-34-35-21-36-43(3,4)18-5-19-44(36,42(55)60-35)39(34)41(62-38(54)17-11-30-25-50(48-46-30)23-28-8-14-32(15-9-28)52(58)59)40(33)61-37(53)16-10-29-24-49(47-45-29)22-27-6-12-31(13-7-27)51(56)57/h6-9,12-15,20,24-26,35-36H,5,10-11,16-19,21-23H2,1-4H3/t35-,36-,44+/m0/s1
InChIKey MJEDPGLBODZNFV-DEAUEUDZSA-N
Mol Weight 846.9 g/mol
Molecular Formula C44H46N8O10
Exact Mass 846.33369 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 H5GhhVm5G4H
Name (7-BETA)-11,12-O-(3-(1-(4-NITROBENZYL)-1H-1,2,3-TRIAZOL-4-YL)-PROPANOYLOXY)-7,20-EPOXYABIETA-8,11,13-TRIEN-20-ONE
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H46N8O10
InChI InChI=1S/C44H46N8O10/c1-26(2)33-20-34-35-21-36-43(3,4)18-5-19-44(36,42(55)60-35)39(34)41(62-38(54)17-11-30-25-50(48-46-30)23-28-8-14-32(15-9-28)52(58)59)40(33)61-37(53)16-10-29-24-49(47-45-29)22-27-6-12-31(13-7-27)51(56)57/h6-9,12-15,20,24-26,35-36H,5,10-11,16-19,21-23H2,1-4H3/t35-,36-,44+/m0/s1
InChIKey MJEDPGLBODZNFV-DEAUEUDZSA-N
Literature Reference Author M.W.PERTINO,C.THEODULOZ,E.BUTASSI,S.ZACCHINO,G.SCHMEDA-HIRSC HMANN
Literature Reference Citation MOLECULES,20,8666(2015)
Literature Reference DOI 10.3390/molecules20058666
Molecular Weight 846.897 g/mol
Solvent CDCl3
Source File Reference UWPA3162