Spektraris NMR
ent-1,3-Hydroxyabieta -8,15(17)-dien-1-la,13a -olide-19-oic acid
Common Name: ent-1,3-Hydroxyabieta -8,15(17)-dien-1-la,13a -olide-19-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O5/c1-10-12-8-11-4-5-14-19(2,18(23)24)7-6-15(21)20(14,3)16(11)13(9-12)25-17(10)22/h12-15,21H,1,4-9H2,2-3H3,(H,23,24)/t12?,13?,14-,15+,19-,20+/m1/s1
InChIKey: InChIKey=CGFRNNVBYXSTHE-ODIWLFRFSA-N
Formula: C20H26O5
Molecular Weight: 346.418202
Exact Mass: 346.178024
NMR Solvent: CDCl3
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) | 74.9 |
| 2 (CH2) | 29 |
| 3 (CH2) | 32.8 |
| 4 (C) | 43.1 |
| 5 (CH) | 51.6 |
| 6 (CH2) | 20.1 |
| 7 (CH2) | 30.1 |
| 8 (C) | 133.1 |
| 9 (C) | 139.8 |
| 10 (C) | 44.2 |
| 11 (CH) | 71.5 |
| 12 (CH2) | 41.4 |
| 13 (CH) | 31.8 |
| 14 (CH2) | 35.5 |
| 15 (C) | 136.8 |
| 16 (C) | 165.9 |
| 17 (CH2) | 129.6 |
| 18 (CH3) | 28.2 |
| 19 (C) | 182.1 |
| 20 (CH3) | 13.4 |
