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Methyl cheilantha-12,17-dien-19-oate

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

Methyl cheilantha-12,17-dien-19-oate
SpectraBase Compound ID 45PgPU78Mma
InChI InChI=1S/C26H42O2/c1-18(17-23(27)28-7)9-11-20-19(2)10-12-22-25(20,5)16-13-21-24(3,4)14-8-15-26(21,22)6/h10,17,20-22H,8-9,11-16H2,1-7H3/b18-17+
InChIKey KDSPMOXSDVRGPT-ISLYRVAYSA-N
Mol Weight 386.6 g/mol
Molecular Formula C26H42O2
Exact Mass 386.318481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1GjrOlCucYD
Name Methyl cheilantha-12,17-dien-19-oate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.318480590 u
Formula C26H42O2
InChI InChI=1S/C26H42O2/c1-18(17-23(27)28-7)9-11-20-19(2)10-12-22-25(20,5)16-13-21-24(3,4)14-8-15-26(21,22)6/h10,17,20-22H,8-9,11-16H2,1-7H3/b18-17+
InChIKey KDSPMOXSDVRGPT-ISLYRVAYSA-N
Molecular Weight 386.620 g/mol
SMILES C12(C(C3(CCCC(C3CC2)(C)C)C)CC=C(C1CC\C(=C\C(=O)OC)C)C)C