Spektraris NMR
ent-16b,18-Dihydroxy-15-oxokauran-19-oate
Common Name: ent-16b,18-Dihydroxy-15-oxokauran-19-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O5/c1-18-8-4-9-21(12-22,17(24)26-3)15(18)7-10-20-11-13(5-6-14(18)20)19(2,25)16(20)23/h13-15,22,25H,4-12H2,1-3H3/t13-,14+,15+,18+,19+,20-,21+/m1/s1
InChIKey: InChIKey=YUTCYHPBBYFWTO-AGGDMMFYSA-N
Formula: C21H32O5
Molecular Weight: 364.476583
Exact Mass: 364.224974
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Deoliveira, A.B., Hanson, J.R., Takahashi, J.A. Phytochemistry (1995) 40, 439.42
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) | 39.3 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 31.8 |
| 4 (C) | 49.6 |
| 5 (CH) | 50.6 |
| 6 (CH2) | 19.9 |
| 7 (CH2) | 33.8 |
| 8 (C) | 52 |
| 9 (CH) | 51.9 |
| 10 (C) | 39.5 |
| 11 (CH2) | 18.3 |
| 12 (CH2) | 27 |
| 13 (CH) | 41.3 |
| 14 (CH2) | 34.5 |
| 15 (C) | 221.3 |
| 16 (C) | 77.3 |
| 17 (CH3) | 18.3 |
| 18 (CH2) | 70.8 |
| 19 (C) | 175.9 |
| 20 (CH3) | 15.3 |
| 19a (CH3) | 51.5 |
