Methyl (2Z)-3-methyl-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]-2-pentenoate

Methyl (2Z)-3-methyl-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]-2-pentenoate

Common Name: Methyl (2Z)-3-methyl-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]-2-pentenoate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H34O2/c1-15(14-19(22)23-6)8-10-17-16(2)9-11-18-20(3,4)12-7-13-21(17,18)5/h14,17-18H,2,7-13H2,1,3-6H3/b15-14-/t17-,18-,21+/m0/s1

InChIKey: InChIKey=KYTKOCVFNCZSSC-IWTYRFFRSA-N

Formula: C21H34O2

Molecular Weight: 318.494249

Exact Mass: 318.25588

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) 39.1
2 (CH2) 19.5
3 (CH2) 42.3
4 (C) 33.7
5 (CH) 55.7
6 (CH2) 24.6
7 (CH2) 38.5
8 (C) 148.5
9 (CH) 57.3
10 (C) 39.9
11 (CH2) 22.5
12 (CH2) 32.8
13 (C) 160.9
14 (CH) 115.8
15 (C) 166.7
16 (CH3) 25.3
17 (CH2) 106.5
18 (CH3) 33.7
19 (CH3) 21.8
20 (CH3) 14.6
15a (CH3) 52.5