Spektraris NMR
ent- 1/3,12a - Dihydroxykaur- 9( 11 ), 16- dien- 15 - one-19-oic acid
Common Name: ent- 1/3,12a - Dihydroxykaur- 9( 11 ), 16- dien- 15 - one-19-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O5/c1-10-11-9-20(16(10)23)7-4-13-18(2,17(24)25)6-5-15(22)19(13,3)14(20)8-12(11)21/h8,11-13,15,21-22H,1,4-7,9H2,2-3H3,(H,24,25)/t11-,12-,13-,15+,18-,19-,20-/m1/s1
InChIKey: InChIKey=ILHYJJMPRBZUJC-MDJKRYRCSA-N
Formula: C20H26O5
Molecular Weight: 346.418202
Exact Mass: 346.178024
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Bardon, A., Montanaro, S., Catalan, C.A.N., Diaz, J.G., Herz, W. Phytochemistry (1996) 42, 479-84
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 (CH) | 77.6 |
| 2 (CH2) | 28.6 |
| 3 (CH2) | 31.8 |
| 4 (C) | 44.6 |
| 5 (CH) | 45.1 |
| 6 (CH2) | 20.9 |
| 7 (CH2) | 37.2 |
| 8 (C) | 51.7 |
| 9 (C) | 148.4 |
| 10 (C) | 46.8 |
| 11 (CH) | 131.1 |
| 12 (CH) | 71.5 |
| 13 (CH) | 48.8 |
| 14 (CH2) | 43.5 |
| 15 (C) | 205.2 |
| 16 (C) | 146.6 |
| 17 (CH2) | 120.5 |
| 18 (CH3) | 29.4 |
| 19 (C) | 180.4 |
| 20 (CH3) | 17.6 |
