Methyl (2Z)-5-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl]-3-methyl-2-pentenoate

Methyl (2Z)-5-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl]-3-methyl-2-pentenoate

Common Name: Methyl (2Z)-5-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl]-3-methyl-2-pentenoate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H36O3/c1-15(14-18(22)24-6)8-9-17-20(4)12-7-11-19(2,3)16(20)10-13-21(17,5)23/h14,16-17,23H,7-13H2,1-6H3/b15-14-/t16-,17+,20-,21+/m0/s1

InChIKey: InChIKey=BNYWADFAGBPZJB-RYTYQXOESA-N

Formula: C21H36O3

Molecular Weight: 336.509536

Exact Mass: 336.266445

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) 39.5
2 (CH2) 18.6
3 (CH2) 42.2
4 (C) 33.5
5 (CH) 56.3
6 (CH2) 20.4
7 (CH2) 43.4
8 (C) 74
9 (CH) 61.8
10 (C) 39
11 (CH2) 24.4
12 (CH2) 37.6
13 (C) 161.9
14 (CH) 115.3
15 (C) 167.1
16 (CH3) 25.7
17 (CH3) 24.4
18 (CH3) 33.5
19 (CH3) 21.5
20 (CH3) 15.6
15a (CH3) 51.1