Spektraris NMR
15,16-Dinor-13-oxolabda-8(17)-ene-19-oic acid methyl ester
Common Name: 15,16-Dinor-13-oxolabda-8(17)-ene-19-oic acid methyl ester
Synonyms: 15,16-Dinor-13-oxolabda-8(17)-ene-19-oic acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C19H30O3/c1-13-7-10-16-18(3,15(13)9-8-14(2)20)11-6-12-19(16,4)17(21)22-5/h15-16H,1,6-12H2,2-5H3/t15-,16+,18+,19-/m0/s1
InChIKey: InChIKey=FYUKPQHYILWIKD-ISARSNTHSA-N
Formula: C19H30O3
Molecular Weight: 306.440419
Exact Mass: 306.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nagashima, F., Momosaki, S., Watanabe, Y., Toyota, M., Huneck, S. Phytochemistry (1996) 41, 207-11
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) | 19.9 |
| 3 (CH2) | 38.2 |
| 4 (C) | 44.3 |
| 5 (CH) | 55.5 |
| 6 (CH2) | 26.3 |
| 7 (CH2) | 38.7 |
| 8 (C) | 147.8 |
| 9 (CH) | 56.3 |
| 10 (C) | 40.4 |
| 11 (CH2) | 17.7 |
| 12 (CH2) | 42.8 |
| 13 (C) | 209.3 |
| 14 (CH3) | 30.1 |
| 17 (CH2) | 106.4 |
| 18 (CH3) | 28.8 |
| 19 (C) | 177.7 |
| 20 (CH3) | 12.4 |
| 19a (CH3) | 51.1 |
