Spektraris NMR
2a-Hydroxy-7a-acetoxy-12-oxo-15:16-epoxy-neocle-rodan.3,13(16), 14-trien-18:19-olide
Common Name: 2a-Hydroxy-7a-acetoxy-12-oxo-15:16-epoxy-neocle-rodan.3,13(16), 14-trien-18:19-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H26O7/c1-12-18(29-13(2)23)9-22-11-28-20(26)16(22)6-15(24)7-19(22)21(12,3)8-17(25)14-4-5-27-10-14/h4-6,10,12,15,18-19,24H,7-9,11H2,1-3H3/t12-,15+,18-,19-,21+,22-/m1/s1
InChIKey: InChIKey=OSDZAFSCVXXDJG-NGJLOITBSA-N
Formula: C22H26O7
Molecular Weight: 402.438484
Exact Mass: 402.167853
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sanchez, A.A., Esquivel, B., Ramamoorthy, T.P., Rodriguezhahn, L. Phytochemistry (1995) 38, 171-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 30.3 |
| 2 (CH) | 69.5 |
| 3 (CH) | 140.1 |
| 4 (C) | 137.3 |
| 5 (C) | 44.5 |
| 6 (CH2) | 37.5 |
| 7 (CH) | 73.2 |
| 8 (CH) | 39.6 |
| 9 (C) | 39.9 |
| 10 (CH) | 42.3 |
| 11 (CH2) | 45.9 |
| 12 (C) | 193.7 |
| 13 (C) | 128.9 |
| 14 (CH) | 108.5 |
| 15 (CH) | 144.6 |
| 16 (CH) | 147 |
| 17 (CH3) | 11.9 |
| 18 (C) | 168.7 |
| 19 (CH2) | 72.1 |
| 20 (CH3) | 19.2 |
| 7a (C) | 169.8 |
| 7b (CH3) | 21.2 |
