Spektraris NMR
Klyxumine B acetate
Common Name: Klyxumine B acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H42O8/c1-14(2)18-10-13-25(7,33-16(4)28)20-19(18)22-24(6,30)11-9-12-26(8,34-17(5)29)23(21(20)32-22)31-15(3)27/h14,18-23,30H,9-13H2,1-8H3/t18-,19-,20+,21+,22-,23+,24-,25-,26-/m1/s1
InChIKey: InChIKey=OGZBOWCRHUNYNR-AIOAYTQXSA-N
Formula: C26H42O8
Molecular Weight: 482.607884
Exact Mass: 482.287968
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Chill, L., Berrer, N., Benayahu, Y., Kashman, Y. J Nat Prod (2005) 68, 19-25
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Eunicellanes; 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 (CH) | 42.4 |
| 2 (CH) | 91.5 |
| 3 (C) | 85 |
| 4 (CH2) | 36.2 |
| 5 (CH2) | 19.6 |
| 6 (CH2) | 44.4 |
| 7 (C) | 79.5 |
| 8 (CH) | 76.3 |
| 9 (CH) | 78.5 |
| 10 (CH) | 51 |
| 11 (C) | 83 |
| 12 (CH2) | 31 |
| 13 (CH2) | 18.9 |
| 14 (CH) | 42.4 |
| 15 (CH3) | 23.3 |
| 16 (CH3) | 26.3 |
| 17 (CH3) | 24.5 |
| 18 (CH) | 29.5 |
| 19 (CH3) | 16.6 |
| 20 (CH3) | 22.3 |
| 7a (C) | 169.5 |
| 7b (CH3) | 20.9 |
| 8a (C) | 170 |
| 8b (CH3) | 21.9 |
| 11a (C) | 169 |
| 11b (CH3) | 22.1 |
