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

*Links on SpectraBase are not permalinks.
ONCHITRIOL-#1A
SpectraBase Compound ID 5KwSbwJ8aWl
InChI InChI=1S/C36H52O9/c1-14-28(39)19(5)34-23(9)31(41)21(7)32(45-34)17(3)16-18(4)33(42-26(12)37)24(10)36(43-27(13)38)25(11)35-22(8)30(40)20(6)29(15-2)44-35/h16-17,19,24-25,28,33,36,39H,14-15H2,1-13H3/b18-16+/t17-,19-,24+,25-,28-,33-,36-/m1/s1
InChIKey AVVQUXMPMAVZQC-IZATXRFVSA-N
Mol Weight 628.8 g/mol
Molecular Formula C36H52O9
Exact Mass 628.361133 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 Cvk2nyoYivp
Name ONCHITRIOL-#1A
CAS Registry Number 142132-12-5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H52O9
InChI InChI=1S/C36H52O9/c1-14-28(39)19(5)34-23(9)31(41)21(7)32(45-34)17(3)16-18(4)33(42-26(12)37)24(10)36(43-27(13)38)25(11)35-22(8)30(40)20(6)29(15-2)44-35/h16-17,19,24-25,28,33,36,39H,14-15H2,1-13H3/b18-16+/t17-,19-,24+,25-,28-,33-,36-/m1/s1
InChIKey AVVQUXMPMAVZQC-IZATXRFVSA-N
Literature Reference Author J.RODRIGUEZ,R.RIGUERA,C.DEBITUS
Literature Reference Citation J.ORG.CHEM.,57,4624(1992)
Literature Reference DOI 10.1021/jo00043a018
Molecular Weight 628.803 g/mol
Solvent CDCl3
Source File Reference UWCS2472