Spektraris NMR
17-Hydroxy-ent-kaur-15( 16)-en-19-oic acid
Common Name: 17-Hydroxy-ent-kaur-15( 16)-en-19-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-18-7-3-8-19(2,17(22)23)15(18)6-9-20-10-13(4-5-16(18)20)14(11-20)12-21/h11,13,15-16,21H,3-10,12H2,1-2H3,(H,22,23)/t13-,15+,16+,18-,19-,20+/m1/s1
InChIKey: InChIKey=XEQHVCXFKPCQNM-PMHNSBFUSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Piacente, S., Aquino, R., Detommasi, N., Pizza, C., Deugaz, O.L., Orellana, H.C., Mahmood, N. Phytochemistry (1994) 36, 991-6
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) | 42.3 |
| 2 (CH2) | 19.8 |
| 3 (CH2) | 39.8 |
| 4 (C) | 45.2 |
| 5 (CH) | 58.2 |
| 6 (CH2) | 22.1 |
| 7 (CH2) | 44.9 |
| 8 (C) | 49 |
| 9 (CH) | 50.5 |
| 10 (C) | 40.7 |
| 11 (CH2) | 20.5 |
| 12 (CH2) | 26.4 |
| 13 (CH) | 42.2 |
| 14 (CH2) | 40.9 |
| 15 (CH) | 136 |
| 16 (C) | 147.1 |
| 17 (CH2) | 61.1 |
| 18 (CH3) | 29.9 |
| 19 (C) | 178 |
| 20 (CH3) | 16.2 |
