(13R)-2-Oxo-13-hydroxy-1(10),14-ent-halimadien-18-oic acid

(13R)-2-Oxo-13-hydroxy-1(10),14-ent-halimadien-18-oic acid

Common Name: (13R)-2-Oxo-13-hydroxy-1(10),14-ent-halimadien-18-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O4/c1-6-18(3,24)9-10-19(4)13(2)7-8-15-16(19)11-14(21)12-20(15,5)17(22)23/h6,11,13,15,24H,1,7-10,12H2,2-5H3,(H,22,23)/t13-,15+,18-,19+,20+/m1/s1

InChIKey: InChIKey=WRUUAUYSSLTCMP-NJVWMADFSA-N

Formula: C20H30O4

Molecular Weight: 334.45056

Exact Mass: 334.214409

NMR Solvent: CD3OD

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) 124.3
2 (C) 201.5
3 (CH2) 41.9
4 (C) 45.1
5 (CH) 44.1
6 (CH2) 23.7
7 (CH2) 28.2
8 (CH) 41.2
9 (C) 45.1
10 (C) 172.7
11 (CH2) 33
12 (CH2) 36.1
13 (C) 72.5
14 (CH) 144.4
15 (CH2) 110.4
16 (CH3) 27.6
17 (CH3) 14.5
18 (CH3) 20.6
19 (C) 182.7
20 (CH3) 21.8