Spektraris NMR
Crassocolide B
Common Name: Crassocolide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H34O7/c1-14-9-7-11-15(2)21(30-18(5)26)22-19(16(3)23(27)31-22)13-20(29-17(4)25)24(6,28)12-8-10-14/h10-11,19-22,28H,3,7-9,12-13H2,1-2,4-6H3/b14-10+,15-11+/t19-,20+,21+,22-,24-/m1/s1
InChIKey: InChIKey=LAMMZPFXVZNLLB-KYGCZYSXSA-N
Formula: C24H34O7
Molecular Weight: 434.523482
Exact Mass: 434.230453
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Huang, H.C., Ahmed, A.F., Su, J.H., Chao, C.H., Wu, Y.C., Chiang, M.Y., Sheu, J.H. J Nat Prod (2006) 69, 1554-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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) | 37.2 |
| 2 (CH2) | 36.4 |
| 3 (CH) | 75.1 |
| 4 (C) | 75.5 |
| 5 (CH2) | 37.9 |
| 6 (CH2) | 22.6 |
| 7 (CH) | 123.6 |
| 8 (C) | 137.2 |
| 9 (CH2) | 37.7 |
| 10 (CH2) | 24.8 |
| 11 (CH) | 128.1 |
| 12 (C) | 129.9 |
| 13 (CH) | 77.5 |
| 14 (CH) | 81.3 |
| 15 (C) | 139.9 |
| 16 (C) | 169.7 |
| 17 (CH2) | 121.2 |
| 18 (CH3) | 24.9 |
| 19 (CH3) | 16.9 |
| 20 (CH3) | 14.6 |
| 3a (C) | 169.4 |
| 3b (CH3) | 20.7 |
| 13a (C) | 170.9 |
| 13b (CH3) | 21.2 |
