b,b-Symmetrical (R)-methyl-1,2-ethanediol DHA acetaldimer

b,b-Symmetrical (R)-methyl-1,2-ethanediol DHA acetaldimer

Common Name: b,b-Symmetrical (R)-methyl-1,2-ethanediol DHA acetaldimer

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C33H52O10/c1-17-8-10-24-20(4)26(36-28-32(24)22(17)12-14-30(6,38-28)40-42-32)34-16-19(3)35-27-21(5)25-11-9-18(2)23-13-15-31(7)39-29(37-27)33(23,25)43-41-31/h17-29H,8-16H2,1-7H3/t17-,18-,19+,20-,21-,22+,23+,24+,25+,26+,27+,28-,29-,30+,31+,32-,33-/m1/s1

InChIKey: InChIKey=HRSFGCVBDUABKN-MIINZXHDSA-N

Formula: C33H52O10

Molecular Weight: 608.761253

Exact Mass: 608.356048

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Galal, A.M., Gul, W., Slade, D., Ross, S.A., Feng, S., Hollingshead, M.G., Alley, M.C., Kaur, G., ElSohly, M.A. Bioorg Med Chem (2009) 17, 741-51

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cadinanes; 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) 52.99
2 (CH2) 25.07
3 (CH2) 36.86
4 (C) 104.48
5 (CH) 88.24
6 (C) 81.43
7 (CH) 44.93
8 (CH2) 24.87
9 (CH2) 35.09
10 (CH) 37.93
11 (CH) 31.3
12 (CH) 102.56
13 (CH3) 13.54
14 (CH3) 20.75
15 (CH3) 26.61
16 (CH) 73.36
17 (CH2) 72.49
18 (CH3) 19.43
1' (CH) 52.95
2' (CH2) 25.07
3' (CH2) 36.81
4' (C) 104.43
5' (CH) 88.47
6' (C) 81.51
7' (CH) 44.83
8' (CH2) 24.82
9' (CH2) 35.03
10' (CH) 37.9
11' (CH) 31.27
12' (CH) 102.15
13' (CH3) 13.54
14' (CH3) 20.75
15' (CH3) 26.58