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

*Links on SpectraBase are not permalinks.
ISOCYCLOCITRINOL_B
SpectraBase Compound ID 93QA72jX5j0
InChI InChI=1S/C25H36O4/c1-4-5-23(28)25(3,29)22-9-8-20-19-14-21(27)16-12-15(6-7-17(26)13-16)18(19)10-11-24(20,22)2/h4-6,14,16-18,20,22-23,26,28-29H,7-13H2,1-3H3/b5-4+/t16-,17-,18+,20-,22?,23-,24-,25+/m0/s1
InChIKey UVBQBSNVVCZFQB-NZYLELCQSA-N
Mol Weight 400.6 g/mol
Molecular Formula C25H36O4
Exact Mass 400.26136 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 LeJDjAzW30b
Name ISOCYCLOCITRINOL_B
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H36O4
InChI InChI=1S/C25H36O4/c1-4-5-23(28)25(3,29)22-9-8-20-19-14-21(27)16-12-15(6-7-17(26)13-16)18(19)10-11-24(20,22)2/h4-6,14,16-18,20,22-23,26,28-29H,7-13H2,1-3H3/b5-4+/t16-,17-,18+,20-,22?,23-,24-,25+/m0/s1
InChIKey UVBQBSNVVCZFQB-NZYLELCQSA-N
Literature Reference Author L.DU,T.ZHU,Y.FANG,Q.GU,W.ZHU
Literature Reference Citation J.NAT.PROD.,71,1343(2008)
Literature Reference DOI 10.1021/np8000442
Molecular Weight 400.558 g/mol
Sample ID 28441
Solvent CDCl3