Spektraris NMR
16a-Methoxy-ent-kauran-19-oic acid
Common Name: 16a-Methoxy-ent-kauran-19-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H34O3/c1-18-9-5-10-19(2,17(22)23)15(18)8-11-21-12-14(6-7-16(18)21)20(3,13-21)24-4/h14-16H,5-13H2,1-4H3,(H,22,23)/t14-,15+,16+,18-,19-,20-,21+/m1/s1
InChIKey: InChIKey=VYVVNCBNYVCVGC-IIDSPLMYSA-N
Formula: C21H34O3
Molecular Weight: 334.493654
Exact Mass: 334.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, C.Y., Chang, F.R., Cho, C.P., Wu, Y.C. J Nat Prod (2000) 63, 1000-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 42.1 |
| 2 (CH2) | 19.1 |
| 3 (CH2) | 37.1 |
| 4 (C) | 44.7 |
| 5 (CH) | 56.9 |
| 6 (CH2) | 22.1 |
| 7 (CH2) | 40.7 |
| 8 (C) | 43.7 |
| 9 (CH) | 56 |
| 10 (C) | 39.7 |
| 11 (CH2) | 18.5 |
| 12 (CH2) | 26.7 |
| 13 (CH) | 43.3 |
| 14 (CH2) | 37.9 |
| 15 (CH2) | 54.6 |
| 16 (C) | 84.1 |
| 17 (CH3) | 18.3 |
| 18 (CH3) | 28.9 |
| 19 (C) | 183.7 |
| 20 (CH3) | 15.5 |
| 16a (CH3) | 54.6 |
