(2ξ)-1,2-Anhydro-4,5-dideoxy-3-C-methyl-5-[(1R,8aS)-5,5,8a-trimethyloctahydro-1H-spiro[naphthalene-2,2'-oxiran]-1-yl]-D-glycero-pentitol

(2ξ)-1,2-Anhydro-4,5-dideoxy-3-C-methyl-5-[(1R,8aS)-5,5,8a-trimethyloctahydro-1H-spiro[naphthalene-2,2'-oxiran]-1-yl]-D-glycero-pentitol

Common Name: (2ξ)-1,2-Anhydro-4,5-dideoxy-3-C-methyl-5-[(1R,8aS)-5,5,8a-trimethyloctahydro-1H-spiro[naphthalene-2,2'-oxiran]-1-yl]-D-glycero-pentitol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H34O3/c1-17(2)8-5-9-18(3)14(17)7-11-20(13-23-20)15(18)6-10-19(4,21)16-12-22-16/h14-16,21H,5-13H2,1-4H3/t14-,15+,16?,18-,19-,20-/m0/s1

InChIKey: InChIKey=YWVTVZZOGIQUHG-UOWRKYFNSA-N

Formula: C20H34O3

Molecular Weight: 322.482918

Exact Mass: 322.250795

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) 18.7
3 (CH2) 42.1
4 (C) 33.5
5 (CH) 55.2
6 (CH2) 21.9
7 (CH2) 36.7
8 (C) 59.4
9 (CH) 54.5
10 (C) 40.5
11 (CH2) 15.4
12 (CH2) 40.6
13 (C) 69.4
14 (CH) 57.7
15 (CH2) 42.3
16 (CH3) 23.1
17 (CH2) 50.9
18 (CH3) 23.5
19 (CH3) 21.7
20 (CH3) 14.7