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

*Links on SpectraBase are not permalinks.

9-DIHYDRO-13-ACETYL-D-SECO-5,6-DEHYDRO-BACCATIN-III

View entire compound with spectra: 1 NMR

9-DIHYDRO-13-ACETYL-D-SECO-5,6-DEHYDRO-BACCATIN-III
SpectraBase Compound ID AUoCOibN46D
InChI InChI=1S/C33H40O12/c1-17-22(43-19(3)35)15-33(41)28(45-29(39)21-11-9-8-10-12-21)26-31(7,23(37)13-14-32(26,40)16-42-18(2)34)27(38)25(44-20(4)36)24(17)30(33,5)6/h8-14,22,25-28,38,40-41H,15-16H2,1-7H3/t22-,25+,26-,27-,28-,31+,32+,33+/m0/s1
InChIKey VYIYJNKJPAZBJA-OULKTZHRSA-N
Mol Weight 628.7 g/mol
Molecular Formula C33H40O12
Exact Mass 628.251977 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 LcGdoaIedph
Name 9-DIHYDRO-13-ACETYL-D-SECO-5,6-DEHYDRO-BACCATIN-III
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H40O12
InChI InChI=1S/C33H40O12/c1-17-22(43-19(3)35)15-33(41)28(45-29(39)21-11-9-8-10-12-21)26-31(7,23(37)13-14-32(26,40)16-42-18(2)34)27(38)25(44-20(4)36)24(17)30(33,5)6/h8-14,22,25-28,38,40-41H,15-16H2,1-7H3/t22-,25+,26-,27-,28-,31+,32+,33+/m0/s1
InChIKey VYIYJNKJPAZBJA-OULKTZHRSA-N
Literature Reference Author A.NIKOLAKAKIS,G.CARON,A.CHERESTES,F.SAURIOL,O.MAMER,L.O.ZAMI R
Literature Reference Citation BIOORG.MED.CHEM.,8,1269(2000)
Literature Reference DOI 10.1016/S0968-0896(00)00056-0
Molecular Weight 628.673 g/mol
Solvent CDCl3
Source File Reference UWVN20221