Spektraris NMR
Amoenolide K 19-acetate
Common Name: Amoenolide K 19-acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O8/c1-13-7-16(25)18-19(3,11-27-14(2)23)8-15(24)9-20(18,4)22(13)6-5-21(29-30-22)10-17(26)28-12-21/h15-16,18,24-25H,1,5-12H2,2-4H3/t15-,16-,18-,19+,20-,21-,22+/m0/s1
InChIKey: InChIKey=BQRQUORTBMRQBJ-FKLQPWQQSA-N
Formula: C22H32O8
Molecular Weight: 424.485533
Exact Mass: 424.209718
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - O'Mathuna, D.P., Doskotch, R.W. J Nat Prod (1995) 58, 1407-18
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 42.79 |
| 2 (CH) | 63.93 |
| 3 (CH2) | 46.99 |
| 4 (C) | 39.84 |
| 5 (CH) | 51.31 |
| 6 (CH) | 70.64 |
| 7 (CH2) | 44.93 |
| 8 (C) | 144.75 |
| 9 (C) | 86.63 |
| 10 (C) | 45.5 |
| 11 (CH2) | 19.79 |
| 12 (CH2) | 27.3 |
| 13 (C) | 84.37 |
| 14 (CH2) | 39.3 |
| 15 (C) | 174.57 |
| 16 (CH2) | 74.28 |
| 17 (CH2) | 114.72 |
| 18 (CH3) | 32.1 |
| 19 (CH2) | 67.67 |
| 20 (CH3) | 19.53 |
| 19a (C) | 171.13 |
| 19b (CH3) | 20.76 |
