(8abeta)-5-[(R)-3-Methyl-5-hydroxypentyl]-1,5alpha,6alpha-trimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalene-1beta-carboxylic acid methyl ester

(8abeta)-5-[(R)-3-Methyl-5-hydroxypentyl]-1,5alpha,6alpha-trimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalene-1beta-carboxylic acid methyl ester

Common Name: (8abeta)-5-[(R)-3-Methyl-5-hydroxypentyl]-1,5alpha,6alpha-trimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalene-1beta-carboxylic acid methyl ester

Synonyms: (8abeta)-5-[(R)-3-Methyl-5-hydroxypentyl]-1,5alpha,6alpha-trimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalene-1beta-carboxylic acid methyl ester

CAS Registry Number:

InChI: InChI=1S/C21H36O3/c1-15(11-14-22)10-13-20(3)16(2)8-9-18-17(20)7-6-12-21(18,4)19(23)24-5/h7,15-16,18,22H,6,8-14H2,1-5H3/t15-,16-,18+,20+,21+/m1/s1

InChIKey: InChIKey=ZFWALPVCYOXLRV-WDMKGZBDSA-N

Formula: C21H36O3

Molecular Weight: 336.509536

Exact Mass: 336.266445

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - deMendonca, D., Rodilla, J.M.L., Lithgow, A.M., Marcos, I.S. Phytochemistry (1997) 44, 1301-7

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Halimanes; 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) 119
2 (CH2) 22.4
3 (CH2) 30.3
4 (C) 44.5
5 (CH) 38
6 (CH2) 22.6
7 (CH2) 28.1
8 (CH) 38.1
9 (C) 42.4
10 (C) 141.2
11 (CH2) 36
12 (CH2) 30.6
13 (CH) 29.8
14 (CH2) 39.3
15 (CH2) 60.5
16 (CH3) 19.5
17 (CH3) 15.3
18 (CH3) 19.7
19 (C) 178.4
20 (CH3) 22.2
19a (CH3) 51.4