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

*Links on SpectraBase are not permalinks.

6-o-(3-Methylvaleryl)britannilactone, o-methyl

View entire compound with spectra: 1 NMR

6-o-(3-Methylvaleryl)britannilactone, o-methyl
SpectraBase Compound ID Il1OK5QErCi
InChI InChI=1S/C22H34O5/c1-7-13(2)11-18(23)27-21-19(14(3)9-8-10-25-6)15(4)12-17-20(21)16(5)22(24)26-17/h13-14,17,20-21H,5,7-12H2,1-4,6H3/t13?,14-,17+,20+,21+/m0/s1
InChIKey VHNFEYMYIZTVND-FMWHECMKSA-N
Mol Weight 378.5 g/mol
Molecular Formula C22H34O5
Exact Mass 378.240624 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 lKF48fy9De
Name 6-o-(3-Methylvaleryl)britannilactone, o-methyl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.240624190 u
Formula C22H34O5
InChI InChI=1S/C22H34O5/c1-7-13(2)11-18(23)27-21-19(14(3)9-8-10-25-6)15(4)12-17-20(21)16(5)22(24)26-17/h13-14,17,20-21H,5,7-12H2,1-4,6H3/t13?,14-,17+,20+,21+/m0/s1
InChIKey VHNFEYMYIZTVND-FMWHECMKSA-N
Molecular Weight 378.509 g/mol
SMILES C(CC(CC)C)(=O)O[C@@]1(C(=C(C[C@]2(OC(C([C@@]12[H])=C)=O)[H])C)[C@@](C)(CCCOC)[H])[H]