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)
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 |