Methyl 3-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-oxodecahydro-1-naphthalenyl]propanoate

Methyl 3-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-oxodecahydro-1-naphthalenyl]propanoate

Common Name: Methyl 3-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-oxodecahydro-1-naphthalenyl]propanoate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C17H28O3/c1-16(2)10-5-11-17(3)12(6-9-15(19)20-4)13(18)7-8-14(16)17/h12,14H,5-11H2,1-4H3/t12-,14-,17+/m0/s1

InChIKey: InChIKey=HJAVCYCAEUKGBX-RVSPLBMKSA-N

Formula: C17H28O3

Molecular Weight: 280.403066

Exact Mass: 280.203845

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Bastard, J., Duc, D.K., Fetizon, M., Francis, M.J., Grant, P.K., Weavers, R.T., Kaneko, C., Baddeley, G.V., Bernassau, J.M., Burfitt, I.R., Wovkulich, P.M., Wenkert, E. J Nat Prod (1984) 47, 592-9

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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 (CH2) 39.2
2 (CH2) 19
3 (CH2) 41.9
4 (C) 33.7
5 (CH) 54.2
6 (CH2) 24
7 (CH2) 42.5
8 (C) 211.7
9 (CH) 63.1
10 (C) 42.5
11 (CH2) 17.4
12 (CH2) 33.1
13 (C) 173.4
18 (CH3) 33.5
19 (CH3) 21.7
20 (CH3) 14.6
13a (CH3) 51.1