13Z,17Z-Bicyclogeranylfarnesoic acid methylester

13Z,17Z-Bicyclogeranylfarnesoic acid methylester

Common Name: 13Z,17Z-Bicyclogeranylfarnesoic acid methylester

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H42O2/c1-19(10-8-11-20(2)18-24(27)28-7)12-14-22-21(3)13-15-23-25(4,5)16-9-17-26(22,23)6/h10,18,22-23H,3,8-9,11-17H2,1-2,4-7H3/b19-10-,20-18-/t22-,23-,26+/m0/s1

InChIKey: InChIKey=DHTAOTOHULJHDU-MDNPXECJSA-N

Formula: C26H42O2

Molecular Weight: 386.611455

Exact Mass: 386.318481

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ungur, N., Kulciki, V., Gavagnin, M., Castelluccio, F., Vlad, P.F., Cimino, G. Tetrahedron (2002) 58, 10159-65

Species:

Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Bicarbocyclics; 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
2 (CH2) 19.4
3 (CH2) 42.2
4 (C) 33.6
5 (CH) 55.1
6 (CH2) 24.5
7 (CH2) 38.4
8 (C) 148.8
9 (CH) 56.2
10 (C) 39.6
11 (CH2) 21.6
12 (CH2) 30.6
13 (C) 136.4
14 (CH) 124.5
15 (CH2) 26.6
16 (CH2) 33.7
17 (C) 160.5
18 (CH) 115.7
19 (C) 166.7
20 (CH3) 25.3
21 (CH3) 23.3
22 (CH2) 106.2
23 (CH3) 33.6
24 (CH3) 21.7
25 (CH3) 14.5
19a (CH3) 50.7