Spektraris NMR
12-epi-Diacetylmontanin D
Common Name: 12-epi-Diacetylmontanin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H30O8/c1-14-9-20(31-16(3)26)24-13-30-22(24,12-29-15(2)25)7-4-5-19(24)23(14)10-18(32-21(23)27)17-6-8-28-11-17/h6,8,11,14,18-20H,4-5,7,9-10,12-13H2,1-3H3/t14-,18-,19-,20-,22+,23-,24+/m1/s1
InChIKey: InChIKey=USJOKJNZACCFKR-JFNVYNFESA-N
Formula: C24H30O8
Molecular Weight: 446.491124
Exact Mass: 446.194068
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bruno, M., Bondi, M.L., Rosselli, S., Piozzi, F., Al-Hillo, M.R., Lamara, K., Ladjel, S. J Nat Prod (2000) 63, 1029-31
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) | 21.7 |
| 2 (CH2) | 16.1 |
| 3 (CH2) | 29.1 |
| 4 (C) | 86.3 |
| 5 (C) | 46.2 |
| 6 (CH) | 73.4 |
| 7 (CH2) | 29.9 |
| 8 (CH) | 34.8 |
| 9 (C) | 52.6 |
| 10 (CH) | 36 |
| 11 (CH2) | 41.2 |
| 12 (CH) | 72.2 |
| 13 (C) | 125.3 |
| 14 (CH) | 108.1 |
| 15 (CH) | 144.2 |
| 16 (CH) | 139.4 |
| 17 (CH3) | 16.8 |
| 18 (CH2) | 67.1 |
| 19 (CH2) | 72.5 |
| 20 (C) | 177.3 |
| 6a (C) | 171 |
| 6b (CH3) | 21.4 |
| 18a (C) | 169.9 |
| 18b (CH3) | 20.9 |
