Spektraris NMR
6,7-Dehydromoluccanic acid
Common Name: 6,7-Dehydromoluccanic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H20O3/c1-11(2)14-7-5-12-4-6-13(18)10-15(12)17(14,3)9-8-16(19)20/h4-7,10,14,18H,1,8-9H2,2-3H3,(H,19,20)/t14-,17-/m1/s1
InChIKey: InChIKey=NEWRSWUTFFASBV-RHSMWYFYSA-N
Formula: C17H20O3
Molecular Weight: 272.33954
Exact Mass: 272.141245
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Liu, H., Di, Y., Yang, J., Teng, F., Lu, Y., Ni, W., Chen, C., Hao, X. Tetrahedron Lett (2008) 49, 5150-1
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Podocarpanes; 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) | 37.5 |
| 2 (CH2) | 30.8 |
| 3 (C) | 178 |
| 4 (C) | 146.9 |
| 5 (CH) | 56.1 |
| 6 (CH) | 126.7 |
| 7 (CH) | 128.2 |
| 8 (C) | 126.7 |
| 9 (C) | 144.2 |
| 10 (C) | 39.3 |
| 11 (CH) | 113.6 |
| 12 (C) | 158.3 |
| 13 (CH) | 113.7 |
| 14 (CH) | 129.1 |
| 18 (CH3) | 18.9 |
| 19 (CH2) | 114.2 |
| 20 (CH3) | 20.9 |
