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Methyl 8-methoxylabdan-15-oate

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

Methyl 8-methoxylabdan-15-oate
SpectraBase Compound ID Kh2oa3fCuns
InChI InChI=1S/C22H40O3/c1-16(15-19(23)24-6)9-10-18-21(4)13-8-12-20(2,3)17(21)11-14-22(18,5)25-7/h16-18H,8-15H2,1-7H3/t16-,17-,18+,21-,22+/m0/s1
InChIKey BVVBLULWDBBBND-DLWHVABMSA-N
Mol Weight 352.6 g/mol
Molecular Formula C22H40O3
Exact Mass 352.297745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GH4Enj43GM
Name Methyl 8-methoxylabdan-15-oate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.297745145 u
Formula C22H40O3
InChI InChI=1S/C22H40O3/c1-16(15-19(23)24-6)9-10-18-21(4)13-8-12-20(2,3)17(21)11-14-22(18,5)25-7/h16-18H,8-15H2,1-7H3/t16-,17-,18+,21-,22+/m0/s1
InChIKey BVVBLULWDBBBND-DLWHVABMSA-N
Molecular Weight 352.559 g/mol
SMILES C1CCC(C)(C)[C@]2([H])CC[C@](C)([C@@]([C@@]12C)(CC[C@](C)(CC(=O)OC)[H])[H])OC