Spektraris NMR
Amoenolide M
Common Name: Amoenolide M
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O7/c1-18-14-23(31)27-22(28(18,2)13-12-20-15-26(34)35-16-20)9-10-24(32)29(27,3)17-36-25(33)11-6-19-4-7-21(30)8-5-19/h4-5,7-8,15,18,23,30-31H,6,9-14,16-17H2,1-3H3/t18-,23-,28+,29-/m0/s1
InChIKey: InChIKey=PALAAJUOUBMTDY-SFZMJWEHSA-N
Formula: C29H36O7
Molecular Weight: 496.593043
Exact Mass: 496.246104
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Pcolinski, M.J., O'Mathuna, D.P., Doskotch, R.W. J Nat Prod (1995) 58, 209-16
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Halimanes; 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) | 25.06 |
| 2 (CH2) | 36.96 |
| 3 (C) | 212.17 |
| 4 (C) | 51.78 |
| 5 (C) | 137.89 |
| 6 (CH) | 68.86 |
| 7 (CH2) | 38.79 |
| 8 (CH) | 31.47 |
| 9 (C) | 42.46 |
| 10 (C) | 139.14 |
| 11 (CH2) | 33.35 |
| 12 (CH2) | 23.89 |
| 13 (C) | 171.4 |
| 14 (CH) | 115.07 |
| 15 (C) | 174.14 |
| 16 (CH2) | 73.26 |
| 17 (CH3) | 16.06 |
| 18 (CH3) | 23.92 |
| 19 (CH2) | 66.74 |
| 20 (CH3) | 20.63 |
| 19a (C) | 172.68 |
| 19b (CH2) | 36.91 |
| 19c (CH2) | 30.54 |
| 19d (C) | 131.35 |
| 19e (CH) | 129.74 |
| 19f (CH) | 116.25 |
| 19g (C) | 157.46 |
| 19h (CH) | 116.25 |
| 19i (CH) | 129.74 |
