Ceanothic acid (Emmolic acid) dimethil ester

Ceanothic acid (Emmolic acid) dimethil ester

Common Name: Ceanothic acid (Emmolic acid) dimethil ester

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C32H50O5/c1-18(2)19-12-15-32(27(35)37-9)17-16-29(5)20(23(19)32)10-11-22-30(29,6)14-13-21-28(3,4)25(33)24(26(34)36-8)31(21,22)7/h19-25,33H,1,10-17H2,2-9H3/t19-,20+,21-,22-,23+,24+,25-,29+,30+,31-,32-/m0/s1

InChIKey: InChIKey=OTJNVRIBONQVIF-VSBKJJMFSA-N

Formula: C32H50O5

Molecular Weight: 514.737611

Exact Mass: 514.365825

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Kundu A.B., Barik B.R., Mondal D.N., Dey A.K., Benerji A. Phytochemistry (1989) 28, 3155

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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 (C) 176.5
2 (CH) 84.6
3 (CH) 65.3
4 (C) 49.4
5 (CH) 56.5
6 (CH2) 18.4
7 (CH2) 33.8
8 (C) 43.2
9 (CH) 49.4
10 (C) 41.5
11 (CH2) 23.4
12 (CH2) 25.3
13 (CH) 38.5
14 (C) 42.7
15 (CH2) 30.5
16 (CH2) 32.1
17 (C) 56.5
18 (CH) 46.8
19 (CH) 44.3
20 (C) 150.2
21 (CH2) 29.7
22 (CH2) 36.8
23 (CH3) 30.7
24 (CH3) 19
25 (CH3) 18.4
26 (CH3) 16.4
27 (CH3) 14.6
28 (C) 175.2
29 (CH2) 109.4
30 (CH3) 19.3
1a (CH3) 51.1
28a (CH3) 51.1