Common Name: 8,13-Dioxo-14,15,20-trinorlabdan-19-oic acid methyl ester
Synonyms: 8,13-Dioxo-14,15,20-trinorlabdan-19-oic acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C18H28O4/c1-12(19)6-7-13-14(20)8-9-15-17(13,2)10-5-11-18(15,3)16(21)22-4/h13,15H,5-11H2,1-4H3/t13-,15+,17+,18-/m0/s1
InChIKey: InChIKey=IWIIQYVZJYEOMM-NZPGVSJUSA-N
Formula: C18H28O4
Molecular Weight: 308.413207
Exact Mass: 308.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Alvarez-Manzaneda Roldan, E., Romera Santiago, J.L., Chahboun, R. J Nat Prod (2006) 69, 563-6
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)
Position | PPM |
---|---|
1 (CH2) | 39.4 |
2 (CH2) | 19.8 |
3 (CH2) | 38 |
4 (C) | 43.7 |
5 (CH) | 54.9 |
6 (CH2) | 25.7 |
7 (CH2) | 43.1 |
8 (C) | 211.9 |
9 (CH) | 62.2 |
10 (C) | 44.4 |
11 (CH2) | 16.4 |
12 (CH2) | 42.7 |
13 (C) | 209.3 |
14 (CH3) | 29.3 |
18 (CH3) | 28.9 |
19 (C) | 177.2 |
20 (CH3) | 13.1 |
19a (CH3) | 51.4 |