Spektraris NMR
(13E)-Labd-7,13-diene-15-yl malonic acid
Common Name: (13E)-Labd-7,13-diene-15-yl malonic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H36O4/c1-16(11-14-27-21(26)15-20(24)25)7-9-18-17(2)8-10-19-22(3,4)12-6-13-23(18,19)5/h8,11,18-19H,6-7,9-10,12-15H2,1-5H3,(H,24,25)/b16-11+/t18-,19-,23+/m0/s1
InChIKey: InChIKey=CVECSUVJUDBGMT-PMAVHRBISA-N
Formula: C23H36O4
Molecular Weight: 376.530412
Exact Mass: 376.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Demetzos, C., Mitaku, S., Skaltsounis, A.L., Harvala, M.C.C., Libot, F. Phytochemistry (1994) 35, 979-81
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) | 39.1 |
| 2 (CH2) | 18.6 |
| 3 (CH2) | 41.9 |
| 4 (C) | 33.1 |
| 5 (CH) | 49.9 |
| 6 (CH2) | 23.6 |
| 7 (CH) | 122.2 |
| 8 (C) | 134.9 |
| 9 (CH) | 54.3 |
| 10 (C) | 36.6 |
| 11 (CH2) | 25.3 |
| 12 (CH2) | 42.1 |
| 13 (C) | 143.6 |
| 14 (CH) | 117.4 |
| 15 (CH2) | 62.5 |
| 16 (CH3) | 16.4 |
| 17 (CH3) | 22.1 |
| 18 (CH3) | 33.1 |
| 19 (CH3) | 21.7 |
| 20 (CH3) | 13.4 |
| 15a (C) | 167.6 |
| 15b (CH2) | 41.3 |
| 15c (C) | 171.4 |
