Spektraris NMR
Montanin G
Common Name: Montanin G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H30O9/c1-13-8-20(32-15(3)26)23(11-30-14(2)25)18(4-5-19(27)24(23)12-31-24)22(13)9-17(33-21(22)28)16-6-7-29-10-16/h6-7,10,13,17-20,27H,4-5,8-9,11-12H2,1-3H3/t13-,17-,18-,19+,20+,22-,23+,24-/m1/s1
InChIKey: InChIKey=XWQPBOZEAVXNBB-QAGMUIFJSA-N
Formula: C24H30O9
Molecular Weight: 462.490528
Exact Mass: 462.188983
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bruno, M., Bondi, M.L., Rosselli, S., Maggio, A., Piozzi, F., Arnold, N.A. J Nat Prod (2002) 65, 142-6
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) | 21.3 |
| 2 (CH2) | 32.1 |
| 3 (CH) | 65.6 |
| 4 (C) | 67.4 |
| 5 (C) | 45.1 |
| 6 (CH) | 71.5 |
| 7 (CH2) | 32.6 |
| 8 (CH) | 40.8 |
| 9 (C) | 51.2 |
| 10 (CH) | 50.3 |
| 11 (CH2) | 43.2 |
| 12 (CH) | 71.9 |
| 13 (C) | 125.3 |
| 14 (CH) | 107.8 |
| 15 (CH) | 144.3 |
| 16 (CH) | 139.1 |
| 17 (CH3) | 16.7 |
| 18 (CH2) | 42.2 |
| 19 (CH2) | 61.6 |
| 20 (C) | 175.7 |
| 6a (C) | 170.2 |
| 6b (CH3) | 21.2 |
| 19a (C) | 170 |
| 19b (CH3) | 21 |
