Elegandiol

Elegandiol

Common Name: Elegandiol

Synonyms: Elegandiol

CAS Registry Number:

InChI: InChI=1S/C20H34O2/c1-16(2)14-20(22)15-19(5)11-7-9-17(3)8-6-10-18(4)12-13-21/h8,11-12,14,20-22H,6-7,9-10,13,15H2,1-5H3/b17-8+,18-12+,19-11+/t20-/m1/s1

InChIKey: InChIKey=QYNPSRWEKFVLRS-UYSOGGTPSA-N

Formula: C20H34O2

Molecular Weight: 306.483513

Exact Mass: 306.25588

NMR Solvent: C6D6

MHz:

Calibration:

NMR references: 13C - Culioli, G., Daoudi, M., Mesguiche, V., Valls, R., Piovetti, L. Phytochemistry (1999) 52, 1447-54

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Phytanes; 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) 59.3
2 (CH) 125.3
3 (C) 137.6
4 (CH2) 39.9
5 (CH2) 26.7
6 (CH) 124.9
7 (C) 134.9
8 (CH2) 39.8
9 (CH2) 26.5
10 (CH) 128.2
11 (C) 132.1
12 (CH2) 48.7
13 (CH) 66.5
14 (CH) 129.1
15 (C) 133.5
16 (CH3) 25.8
17 (CH3) 18.2
18 (CH3) 16.4
19 (CH3) 15.9
20 (CH3) 16.2