(1R,4aalpha)-Decahydro-2alpha-(acetyloxy)-2,5,5,8abeta-tetramethyl-1beta-naphthaleneacetic acid methyl ester

(1R,4aalpha)-Decahydro-2alpha-(acetyloxy)-2,5,5,8abeta-tetramethyl-1beta-naphthaleneacetic acid methyl ester

Common Name: (1R,4aalpha)-Decahydro-2alpha-(acetyloxy)-2,5,5,8abeta-tetramethyl-1beta-naphthaleneacetic acid methyl ester

Synonyms: (1R,4aalpha)-Decahydro-2alpha-(acetyloxy)-2,5,5,8abeta-tetramethyl-1beta-naphthaleneacetic acid methyl ester

CAS Registry Number:

InChI: InChI=1S/C19H32O4/c1-13(20)23-19(5)11-8-14-17(2,3)9-7-10-18(14,4)15(19)12-16(21)22-6/h14-15H,7-12H2,1-6H3/t14-,15+,18-,19+/m0/s1

InChIKey: InChIKey=MWHVPLQXJUCRIB-QGWWYQLQSA-N

Formula: C19H32O4

Molecular Weight: 324.455706

Exact Mass: 324.23006

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 (CH2) 18.4
3 (CH2) 41.7
4 (C) 33.2
5 (CH) 55.4
6 (CH2) 19.9
7 (CH2) 38.8
8 (C) 86.3
9 (CH) 55.2
10 (C) 38.7
11 (CH2) 30.4
12 (C) 174.7
17 (CH3) 22.6
18 (CH3) 33.3
19 (CH3) 21.4
20 (CH3) 15.7
8a (C) 169.8
8b (CH3) 20.1
12a (CH3) 51.1