Methyl botryolate

Methyl botryolate

Common Name: Methyl botryolate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C18H30O6/c1-10-7-12(24-11(2)20)14-16(3,4)8-17(5,9-19)18(14,22)13(10)15(21)23-6/h10,12-14,19,22H,7-9H2,1-6H3/t10-,12+,13-,14+,17-,18-/m1/s1

InChIKey: InChIKey=DZXAXKUHDLGMSG-KLUDYHNTSA-N

Formula: C18H30O6

Molecular Weight: 342.427898

Exact Mass: 342.204239

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Collado, I.G., Aleu, J., Hernandez-Galan, R., Duran-Patron, R., Curr Org Chem (2000) 4, 1261-86

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Botryanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)

Carbon NMR Peaks

Position PPM
1 (CH) 60.9
2 (CH) 29.2
3 (CH2) 38.7
4 (CH) 72.9
5 (CH) 63.9
6 (C) 36.5
7 (CH2) 52.2
8 (C) 49.7
9 (C) 88.3
10 (C) 173.3
11 (CH3) 20.8
12 (CH3) 35.9
13 (CH3) 27.8
14 (CH3) 21.7
15 (CH2) 67.7
4a (C) 170.4
4b (CH3) 21.5
10a (CH3) 51.5