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

*Links on SpectraBase are not permalinks.

4-methylbenzoic acid [(3aR,4R,6R,6aR)-6-[6-[bis(4-methylbenzoyl)amino]purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[4,3-d][1,3]dioxol-4-yl]methyl ester

View entire compound with spectra: 1 NMR

4-methylbenzoic acid [(3aR,4R,6R,6aR)-6-[6-[bis(4-methylbenzoyl)amino]purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[4,3-d][1,3]dioxol-4-yl]methyl ester
SpectraBase Compound ID JYSPvT7PiKX
InChI InChI=1S/C37H35N5O7/c1-21-6-12-24(13-7-21)33(43)42(34(44)25-14-8-22(2)9-15-25)32-28-31(38-19-39-32)41(20-40-28)35-30-29(48-37(4,5)49-30)27(47-35)18-46-36(45)26-16-10-23(3)11-17-26/h6-17,19-20,27,29-30,35H,18H2,1-5H3/t27-,29-,30-,35-/m1/s1
InChIKey CDQVAYNZWOJPSQ-KTLRCIACSA-N
Mol Weight 661.7 g/mol
Molecular Formula C37H35N5O7
Exact Mass 661.253648 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 5Lh8ulxljhB
Name 4-methylbenzoic acid [(3aR,4R,6R,6aR)-6-[6-[bis(4-methylbenzoyl)amino]purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[4,3-d][1,3]dioxol-4-yl]methyl ester
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H35N5O7
InChI InChI=1S/C37H35N5O7/c1-21-6-12-24(13-7-21)33(43)42(34(44)25-14-8-22(2)9-15-25)32-28-31(38-19-39-32)41(20-40-28)35-30-29(48-37(4,5)49-30)27(47-35)18-46-36(45)26-16-10-23(3)11-17-26/h6-17,19-20,27,29-30,35H,18H2,1-5H3/t27-,29-,30-,35-/m1/s1
InChIKey CDQVAYNZWOJPSQ-KTLRCIACSA-N
Literature Reference Author J.UZAWA,K.ANZAI
Literature Reference Citation CAN.J.CHEM.,63,3537(1985)
Literature Reference DOI 10.1139/v85-580
Molecular Weight 661.714 g/mol
Solvent DMSO-D6
Source File Reference UWCS6822