3,4-seco-15-nor-14-oxo-4,8,12(E)-labdatrien-3-oic acid

3,4-seco-15-nor-14-oxo-4,8,12(E)-labdatrien-3-oic acid

Common Name: 3,4-seco-15-nor-14-oxo-4,8,12(E)-labdatrien-3-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C19H28O3/c1-13(2)16-9-7-15(4)17(8-6-14(3)12-20)19(16,5)11-10-18(21)22/h6,12,16-17H,1,4,7-11H2,2-3,5H3,(H,21,22)/b14-6+/t16-,17+,19-/m1/s1

InChIKey: InChIKey=HMGDRTLMZZMEPT-BBKCINITSA-N

Formula: C19H28O3

Molecular Weight: 304.424538

Exact Mass: 304.203845

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ramos, F., Takaishi, Y., Kashiwada, Y., Osorio, C., Duque, C., Acuna, R., Fujimoto, Y. Phytochemistry (2008) 69, 2406-10

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) 32.2
2 (CH2) 27.8
3 (C) 178.9
4 (C) 146.7
5 (CH) 50.7
6 (CH2) 29.8
7 (CH2) 37.4
8 (C) 146.9
9 (CH) 48.6
10 (C) 41.2
11 (CH2) 24.6
12 (CH) 154.9
13 (C) 139.3
14 (CH) 195.2
16 (CH3) 9.5
17 (CH2) 108.9
18 (CH2) 114.7
19 (CH3) 23.4
20 (CH3) 17.4