Spektraris NMR
Klyxumine B
Common Name: Klyxumine B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H40O7/c1-13(2)16-9-12-23(6,30-14(3)25)18-17(16)21-22(5,28)10-8-11-24(7,31-15(4)26)20(27)19(18)29-21/h13,16-21,27-28H,8-12H2,1-7H3/t16-,17-,18+,19+,20+,21-,22-,23-,24-/m1/s1
InChIKey: InChIKey=ULRJPFSIVFAPGP-MQBLNODSSA-N
Formula: C24H40O7
Molecular Weight: 440.571126
Exact Mass: 440.277404
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) | 43.5 |
| 2 (CH) | 92.5 |
| 3 (C) | 86.4 |
| 4 (CH2) | 37.8 |
| 5 (CH2) | 19.6 |
| 6 (CH2) | 45.4 |
| 7 (C) | 86.2 |
| 8 (CH) | 78.1 |
| 9 (CH) | 80.4 |
| 10 (CH) | 52.5 |
| 11 (C) | 84 |
| 12 (CH2) | 33.3 |
| 13 (CH2) | 18.7 |
| 14 (CH) | 43.4 |
| 15 (CH3) | 23.9 |
| 16 (CH3) | 25.5 |
| 17 (CH3) | 26.8 |
| 18 (CH) | 29.9 |
| 19 (CH3) | 16.3 |
| 20 (CH3) | 22.4 |
| 7a (C) | 170 |
| 7b (CH3) | 22.5 |
| 11a (C) | 170.1 |
| 11b (CH3) | 22.8 |
