(13R)-13-Hydroxy-1(10),14-ent-halimadien-18-oic Acid

(13R)-13-Hydroxy-1(10),14-ent-halimadien-18-oic Acid

Common Name: (13R)-13-Hydroxy-1(10),14-ent-halimadien-18-oic Acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H32O3/c1-6-18(3,23)12-13-19(4)14(2)9-10-16-15(19)8-7-11-20(16,5)17(21)22/h6,8,14,16,23H,1,7,9-13H2,2-5H3,(H,21,22)/t14-,16+,18-,19+,20+/m1/s1

InChIKey: InChIKey=LRUXWKFVLKWKRF-FVUMXFQUSA-N

Formula: C20H32O3

Molecular Weight: 320.467037

Exact Mass: 320.235145

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Abdel-Kader, M., Berger, J.M., Slebodnick, C., Hoch, J., Malone, S., Wisse, J.H., Werkhoven, M.C., Mamber, S., Kingston, D.G. J Nat Prod (2002) 65, 11-5

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Halimanes; 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) 119.9
2 (CH2) 23.3
3 (CH2) 28.4
4 (C) 44.6
5 (CH) 37.4
6 (CH2) 24
7 (CH2) 29.1
8 (CH) 39.9
9 (C) 43.4
10 (C) 141.8
11 (CH2) 32
12 (CH2) 36.6
13 (C) 73.6
14 (CH) 143.4
15 (CH2) 111.7
16 (CH3) 29.6
17 (CH3) 15.7
18 (CH3) 21.8
19 (C) 182.5
20 (CH3) 23.1