Spektraris NMR
(11Z,13E)-15-Oxolabda-8(20),11,13-trien-19-oic acid
Common Name: (11Z,13E)-15-Oxolabda-8(20),11,13-trien-19-oic acid
Synonyms: (11Z,13E)-15-Oxolabda-8(20),11,13-trien-19-oic acid
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h6,8,10,13,16-17H,2,5,7,9,11-12H2,1,3-4H3,(H,22,23)/b8-6-,14-10+/t16-,17+,19+,20-/m0/s1
InChIKey: InChIKey=BIKTYBKSVBXGDW-VLJGEJDCSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Iwamoto, M., Ohtsu, H., Matsunaga, S., Tanaka, R. J Nat Prod (2000) 63, 1381-3
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) | 41 |
| 2 (CH2) | 19.6 |
| 3 (CH2) | 38 |
| 4 (C) | 44.1 |
| 5 (CH) | 55.5 |
| 6 (CH2) | 24.9 |
| 7 (CH2) | 37.1 |
| 8 (C) | 148.8 |
| 9 (CH) | 60.7 |
| 10 (C) | 40.1 |
| 11 (CH) | 137.1 |
| 12 (CH) | 136.1 |
| 13 (C) | 154.2 |
| 14 (CH) | 128.9 |
| 15 (CH) | 191.5 |
| 16 (CH3) | 13.3 |
| 17 (CH2) | 108.4 |
| 18 (CH3) | 28.9 |
| 19 (C) | 182.9 |
| 20 (CH3) | 13.7 |
