Spektraris NMR
ent-3,4-seco-12,15-dioxo-4,8,13-labdatrien-3-oic acid
Common Name: ent-3,4-seco-12,15-dioxo-4,8,13-labdatrien-3-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-13(2)16-7-6-14(3)17(20(16,5)10-8-19(21)22)12-18-15(4)9-11-23-24-18/h9,16-18H,1,3,6-8,10-12H2,2,4-5H3,(H,21,22)/t16-,17-,18+,20-/m1/s1
InChIKey: InChIKey=GHUBXQZLOXKAHB-FTEYMNFISA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
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) | 32.1 |
| 2 (CH2) | 27 |
| 3 (C) | 180.5 |
| 4 (C) | 147 |
| 5 (CH) | 50.4 |
| 6 (CH2) | 30.2 |
| 7 (CH2) | 37.6 |
| 8 (C) | 148.2 |
| 9 (CH) | 44.4 |
| 10 (C) | 41 |
| 11 (CH2) | 25.5 |
| 12 (CH) | 80.6 |
| 13 (C) | 134.7 |
| 14 (CH) | 118.3 |
| 15 (CH2) | 69.9 |
| 16 (CH3) | 19.1 |
| 17 (CH2) | 107 |
| 18 (CH2) | 113.6 |
| 19 (CH3) | 23.6 |
| 20 (CH3) | 17.7 |
