Spektraris NMR
17-Acetoxy-16b-ent-kauran-19-oic acid
Common Name: 17-Acetoxy-16b-ent-kauran-19-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O4/c1-14(23)26-13-16-12-22-10-7-17-20(2,18(22)6-5-15(16)11-22)8-4-9-21(17,3)19(24)25/h15-18H,4-13H2,1-3H3,(H,24,25)/t15-,16+,17+,18+,20-,21-,22+/m1/s1
InChIKey: InChIKey=DPBCVQQQIVNUMJ-LFAVWFGJSA-N
Formula: C22H34O4
Molecular Weight: 362.503795
Exact Mass: 362.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wu, Y.C., Hung, Y.C., Chang, F.R., Cosentino, M., Wang, H.K., Lee, K.H. J Nat Prod (1996) 59, 635-7
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) | 41 |
| 2 (CH2) | 18.1 |
| 3 (CH2) | 37 |
| 4 (C) | 42.6 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 21.2 |
| 7 (CH2) | 42.6 |
| 8 (C) | 43.4 |
| 9 (CH) | 55.4 |
| 10 (C) | 39.8 |
| 11 (CH2) | 18.1 |
| 12 (CH2) | 25 |
| 13 (CH) | 36.3 |
| 14 (CH2) | 38.6 |
| 15 (CH2) | 49.3 |
| 16 (CH) | 38.1 |
| 17 (CH2) | 65.2 |
| 18 (CH3) | 28 |
| 19 (C) | 180.7 |
| 20 (CH3) | 14.5 |
| 17a (C) | 170.9 |
| 17b (CH3) | 20 |
