Spektraris NMR
Diacetyl-montanin B
Common Name: Diacetyl-montanin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H28O7/c1-13-9-19(29-15(3)25)21-17(12-28-14(2)24)5-4-6-18(21)23(13)10-20(30-22(23)26)16-7-8-27-11-16/h7-8,11,13,18-20H,4-6,9-10,12H2,1-3H3/t13-,18+,19-,20+,23-/m1/s1
InChIKey: InChIKey=HLLIQXOYEOCIMF-OIACUDHQSA-N
Formula: C23H28O7
Molecular Weight: 416.465101
Exact Mass: 416.183503
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) | 20.6 |
| 2 (CH2) | 25.5 |
| 3 (CH2) | 28.5 |
| 4 (C) | 131.7 |
| 5 (C) | 134.1 |
| 6 (CH) | 68.6 |
| 7 (CH2) | 34.5 |
| 8 (CH) | 33.4 |
| 9 (C) | 53.4 |
| 10 (CH) | 41.4 |
| 11 (CH2) | 40.8 |
| 12 (CH) | 71.8 |
| 13 (C) | 125.5 |
| 14 (CH) | 108.1 |
| 15 (CH) | 144.1 |
| 16 (CH) | 139.4 |
| 17 (CH3) | 16.9 |
| 18 (CH2) | 63.9 |
| 20 (C) | 176.6 |
| 6a (C) | 170.9 |
| 6b (CH3) | 21.4 |
| 18a (C) | 169.9 |
| 18b (CH3) | 20.9 |
