Spektraris NMR
ent-11a-Acetoxykaur-16-en-18-oic acid
Common Name: ent-11a-Acetoxykaur-16-en-18-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O4/c1-13-11-22-9-6-17-20(3,7-5-8-21(17,4)19(24)25)18(22)16(26-14(2)23)10-15(13)12-22/h15-18H,1,5-12H2,2-4H3,(H,24,25)/t15-,16+,17+,18+,20-,21+,22-/m1/s1
InChIKey: InChIKey=HTEVPTMQVRGNSS-LGOXWGFVSA-N
Formula: C22H32O4
Molecular Weight: 360.487914
Exact Mass: 360.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Phan, M.G., Phan, T.S., Hamada, Y., Otsuka, H. Chem Pharm Bull (2005) 53, 296-300
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) | 39.2 |
| 2 (CH2) | 17.6 |
| 3 (CH2) | 36.9 |
| 4 (C) | 47.6 |
| 5 (CH) | 49.9 |
| 6 (CH2) | 23.1 |
| 7 (CH2) | 40.4 |
| 8 (C) | 43.2 |
| 9 (CH) | 61.9 |
| 10 (C) | 37.5 |
| 11 (CH) | 68.8 |
| 12 (CH2) | 39.8 |
| 13 (CH) | 42.4 |
| 14 (CH2) | 39 |
| 15 (CH2) | 47.9 |
| 16 (C) | 154.9 |
| 17 (CH2) | 103.3 |
| 18 (C) | 184 |
| 19 (CH3) | 16.2 |
| 20 (CH3) | 17.8 |
| 11a (C) | 170.1 |
| 11b (CH3) | 21.7 |
