19-Hydroxygrindelic acid

19-Hydroxygrindelic acid

Common Name: 19-Hydroxygrindelic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H32O4/c1-14-6-7-15-17(2,13-21)8-5-9-19(15,4)20(14)11-10-18(3,24-20)12-16(22)23/h6,15,21H,5,7-13H2,1-4H3,(H,22,23)/t15-,17+,18?,19-,20+/m0/s1

InChIKey: InChIKey=DJSOIWVYQLXAFK-NTHMGXEOSA-N

Formula: C20H32O4

Molecular Weight: 336.466442

Exact Mass: 336.23006

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ahmed, A.A., Mahmoud, A.A., Ahmed, U.M., El-Bassuony, A.A., Abd El-Razk, M.H., Pare, P.W., Karchesy, J. J Nat Prod (2001) 64, 1365-7

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Grindelanes; 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) 32.6
2 (CH2) 18.2
3 (CH2) 34.9
4 (C) 38
5 (CH) 43.8
6 (CH2) 23.6
7 (CH) 128.7
8 (C) 133.2
9 (C) 92.2
10 (C) 40.8
11 (CH2) 27.6
12 (CH2) 39.6
13 (C) 81.1
14 (CH2) 47.4
15 (C) 171.6
16 (CH3) 26.7
17 (CH3) 21.2
18 (CH3) 26.4
19 (CH2) 65.1
20 (CH3) 17.7