Spektraris NMR
Klyxumine A
Common Name: Klyxumine A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H40O8/c1-12(2)15-8-11-23(6,32-14(4)26)18-17(15)21-22(5,28)10-9-16(30-13(3)25)24(7,29)20(27)19(18)31-21/h12,15-21,27-29H,8-11H2,1-7H3/t15-,16+,17-,18+,19+,20+,21-,22-,23-,24-/m1/s1
InChIKey: InChIKey=MXPJWUTXZSOEAT-ZGFFGHOOSA-N
Formula: C24H40O8
Molecular Weight: 456.570531
Exact Mass: 456.272318
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) | 42.1 |
| 2 (CH) | 89.2 |
| 3 (C) | 85.7 |
| 4 (CH2) | 34.1 |
| 5 (CH2) | 27.8 |
| 6 (CH) | 79.6 |
| 7 (C) | 85.6 |
| 8 (CH) | 76.5 |
| 9 (CH) | 80.8 |
| 10 (CH) | 45.3 |
| 11 (C) | 81.7 |
| 12 (CH2) | 34 |
| 13 (CH2) | 18.7 |
| 14 (CH) | 40.9 |
| 15 (CH3) | 23.4 |
| 16 (CH3) | 23.3 |
| 17 (CH3) | 26.2 |
| 18 (CH) | 28 |
| 19 (CH3) | 14.7 |
| 20 (CH3) | 21.8 |
| 6a (C) | 170.4 |
| 6b (CH3) | 22.1 |
| 11a (C) | 170.3 |
| 11b (CH3) | 22.1 |
