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

View entire compound with spectra: 1 NMR, and 1 FTIR

6-o-(3-Methylvaleryl)britannilactone, o-acetyl
SpectraBase Compound ID BI1hT3MlPFo
InChI InChI=1S/C23H34O6/c1-7-13(2)11-19(25)29-22-20(14(3)9-8-10-27-17(6)24)15(4)12-18-21(22)16(5)23(26)28-18/h13-14,18,21-22H,5,7-12H2,1-4,6H3/t13?,14-,18+,21+,22+/m0/s1
InChIKey VARCUXZWTHLZBR-IQQLTGAZSA-N
Mol Weight 406.5 g/mol
Molecular Formula C23H34O6
Exact Mass 406.235539 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2mAEKfCK2X6
Name 6-o-(3-Methylvaleryl)britannilactone, o-acetyl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.235538809 u
Formula C23H34O6
InChI InChI=1S/C23H34O6/c1-7-13(2)11-19(25)29-22-20(14(3)9-8-10-27-17(6)24)15(4)12-18-21(22)16(5)23(26)28-18/h13-14,18,21-22H,5,7-12H2,1-4,6H3/t13?,14-,18+,21+,22+/m0/s1
InChIKey VARCUXZWTHLZBR-IQQLTGAZSA-N
Molecular Weight 406.519 g/mol
SMILES [C@@]12([H])OC(C([C@@]2([H])[C@@](C(=C(C)C1)[C@](CCCOC(C)=O)(C)[H])(OC(=O)CC(C)CC)[H])=C)=O