Spektraris NMR
17-al-ent-kaur-15(16)-en-19-oic acid
Common Name: 17-al-ent-kaur-15(16)-en-19-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-17(12-21)7-3-8-18(2)15(17)6-9-19-10-14(4-5-16(18)19)20(23,11-19)13-22/h12,14-16,22-23H,3-11,13H2,1-2H3/t14-,15-,16+,17+,18-,19+,20+/m1/s1
InChIKey: InChIKey=ACIODAKBJVREKJ-MAPHFDCTSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
NMR Solvent: CDCl3
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) | 40.9 |
| 2 (CH2) | 19.4 |
| 3 (CH2) | 35.4 |
| 4 (C) | 49 |
| 5 (CH) | 56.9 |
| 6 (CH2) | 21.23 |
| 7 (CH2) | 43.2 |
| 8 (C) | 45.5 |
| 9 (CH) | 57.9 |
| 10 (C) | 40.7 |
| 11 (CH2) | 21.2 |
| 12 (CH2) | 27.1 |
| 13 (CH) | 45.5 |
| 14 (CH2) | 38.4 |
| 15 (CH2) | 54 |
| 16 (C) | 83 |
| 17 (CH2) | 66.9 |
| 18 (CH3) | 24.5 |
| 19 (CH) | 207 |
| 20 (CH3) | 17 |
