Spektraris NMR
ent-12β-Acetoxy-15β-hydroxykaur-16-en-19-oic acid
Common Name: ent-12β-Acetoxy-15β-hydroxykaur-16-en-19-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O5/c1-12-14-11-22(18(12)24)9-6-16-20(3,7-5-8-21(16,4)19(25)26)17(22)10-15(14)27-13(2)23/h14-18,24H,1,5-11H2,2-4H3,(H,25,26)/t14?,15-,16-,17-,18-,20+,21+,22+/m0/s1
InChIKey: InChIKey=GPMKNKRTOWLBPI-DIMLMXCESA-N
Formula: C22H32O5
Molecular Weight: 376.487318
Exact Mass: 376.224974
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Gaspar-Marques, C., Simoes, M.F., Rodriguez, B. J Nat Prod (2004) 67, 614-21
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 |
| 2 (CH2) | 19.8 |
| 3 (CH2) | 38.6 |
| 4 (C) | 44.1 |
| 5 (CH) | 57 |
| 6 (CH2) | 22 |
| 7 (CH2) | 36.1 |
| 8 (C) | 47.5 |
| 9 (CH) | 54.2 |
| 10 (C) | 39.2 |
| 11 (CH2) | 23.5 |
| 12 (CH) | 74.1 |
| 13 (CH) | 46.9 |
| 14 (CH2) | 30.8 |
| 15 (CH) | 83.1 |
| 16 (C) | 157.3 |
| 17 (CH2) | 110.7 |
| 18 (CH3) | 29.5 |
| 19 (C) | 180.2 |
| 20 (CH3) | 14.9 |
| 12a (C) | 170.1 |
| 12b (CH3) | 21.3 |
