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

*Links on SpectraBase are not permalinks.

Demethylmesembranol isomer-2 2ac @P1270

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

Demethylmesembranol isomer-2 2ac @P1270
SpectraBase Compound ID 9k5yc0YKFxN
InChI InChI=1S/C20H27NO5/c1-13(22)25-16-7-8-20(9-10-21(3)19(20)12-16)15-5-6-17(24-4)18(11-15)26-14(2)23/h5-6,11,16,19H,7-10,12H2,1-4H3
InChIKey IWCPNHZSZZQVKT-UHFFFAOYSA-N
Mol Weight 361.44 g/mol
Molecular Formula C20H27NO5
Exact Mass 361.188923 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 LkwegNM78lq
Name Demethylmesembranol isomer-2 2ac @P1270
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.188922968 u
Formula C20H27NO5
InChI InChI=1S/C20H27NO5/c1-13(22)25-16-7-8-20(9-10-21(3)19(20)12-16)15-5-6-17(24-4)18(11-15)26-14(2)23/h5-6,11,16,19H,7-10,12H2,1-4H3
InChIKey IWCPNHZSZZQVKT-UHFFFAOYSA-N
Molecular Weight 361.438 g/mol
SMILES C1C2N(C)CCC2(CCC1OC(=O)C)C=1C=CC(=C(C1)OC(=O)C)OC