(2S)-1,1,4abeta,6-Tetramethyl-5beta-[(S)-3-methyl-5-hydroxypentyl]-1,2,3,4,4a,5,8,8aalpha-octahydronaphthalene-2beta-ol

(2S)-1,1,4abeta,6-Tetramethyl-5beta-[(S)-3-methyl-5-hydroxypentyl]-1,2,3,4,4a,5,8,8aalpha-octahydronaphthalene-2beta-ol

Common Name: (2S)-1,1,4abeta,6-Tetramethyl-5beta-[(S)-3-methyl-5-hydroxypentyl]-1,2,3,4,4a,5,8,8aalpha-octahydronaphthalene-2beta-ol

Synonyms: (2S)-1,1,4abeta,6-Tetramethyl-5beta-[(S)-3-methyl-5-hydroxypentyl]-1,2,3,4,4a,5,8,8aalpha-octahydronaphthalene-2beta-ol

CAS Registry Number:

InChI: InChI=1S/C20H36O2/c1-14(11-13-21)6-8-16-15(2)7-9-17-19(3,4)18(22)10-12-20(16,17)5/h7,14,16-18,21-22H,6,8-13H2,1-5H3/t14-,16-,17-,18-,20+/m0/s1

InChIKey: InChIKey=HCTOMUIBAFXFSO-ATCHWDNASA-N

Formula: C20H36O2

Molecular Weight: 308.499395

Exact Mass: 308.27153

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Urones, J.G., Marcos, I.S., Oliva, I.M., Garrido, N.M., Hagget, J., Humphreys, V.M. Phytochemistry (1995) 38, 663-6

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) 36.8
2 (CH2) 27.5
3 (CH) 79.2
4 (C) 38.7
5 (CH) 49.8
6 (CH2) 23.5
7 (CH) 122
8 (C) 135.3
9 (CH) 55.4
10 (C) 37.4
11 (CH2) 24.5
12 (CH2) 39.7
13 (CH) 30.6
14 (CH2) 40
15 (CH2) 61.2
16 (CH3) 19.8
17 (CH3) 21.9
18 (CH3) 27.9
19 (CH3) 15.1
20 (CH3) 13.7