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

*Links on SpectraBase are not permalinks.

Methyl-cleomiscosin A

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Methyl-cleomiscosin A
SpectraBase Compound ID FR9uJwoLpON
InChI InChI=1S/C21H20O8/c1-24-13-6-4-11(8-14(13)25-2)18-16(10-22)27-21-19-12(5-7-17(23)28-19)9-15(26-3)20(21)29-18/h4-9,16,18,22H,10H2,1-3H3/t16-,18-/m1/s1
InChIKey YJINBIPHZOTKQM-SJLPKXTDSA-N
Mol Weight 400.38 g/mol
Molecular Formula C21H20O8
Exact Mass 400.115818 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 GBixiH9bRhb
Name Methyl-cleomiscosin A
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.115817596 u
Formula C21H20O8
InChI InChI=1S/C21H20O8/c1-24-13-6-4-11(8-14(13)25-2)18-16(10-22)27-21-19-12(5-7-17(23)28-19)9-15(26-3)20(21)29-18/h4-9,16,18,22H,10H2,1-3H3/t16-,18-/m1/s1
InChIKey YJINBIPHZOTKQM-SJLPKXTDSA-N
Molecular Weight 400.383 g/mol
SMILES C=12C(O[C@@]([C@](O2)(CO)[H])(C2=CC(OC)=C(C=C2)OC)[H])=C(OC)C=C2C1OC(=O)C=C2