(2S,13R)-2,13-Dihydroxy-1(10),14-ent-halimadien-18-oic acid

(2S,13R)-2,13-Dihydroxy-1(10),14-ent-halimadien-18-oic acid

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H32O4/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/h6,11,13-15,21,24H,1,7-10,12H2,2-5H3,(H,22,23)/t13-,14-,15+,18-,19+,20+/m1/s1

InChIKey: InChIKey=FGKUISKCUDFGTR-IPWGKGBGSA-N

Formula: C20H32O4

Molecular Weight: 336.466442

Exact Mass: 336.23006

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) 123.5
2 (CH) 73
3 (CH2) 35.9
4 (C) 45
5 (CH) 41.4
6 (CH2) 22
7 (CH2) 25.9
8 (CH) 39.4
9 (C) 42.2
10 (C) 149.7
11 (CH2) 32
12 (CH2) 36.9
13 (C) 72.4
14 (CH) 145.2
15 (CH2) 111
16 (CH3) 27.9
17 (CH3) 14.4
18 (CH3) 18
19 (C) 183.4
20 (CH3) 21