Spektraris NMR
Flaccidoxide-13-acetate
Common Name: Flaccidoxide-13-acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H36O5/c1-15(2)20-13-11-16(3)9-8-10-17(4)12-14-21-24(7,29-21)23(28-19(6)26)22(20)27-18(5)25/h10-11,13,15,21-23H,8-9,12,14H2,1-7H3/b16-11+,17-10+,20-13-/t21-,22-,23+,24+/m0/s1
InChIKey: InChIKey=SLZFGKPBZNIZNQ-NXNIGXLMSA-N
Formula: C24H36O5
Molecular Weight: 404.540553
Exact Mass: 404.256274
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gray, C.A., Davies-Coleman, M.T., Schleyer, M.H. J Nat Prod (2000) 63, 1551-3
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 (C) | 139.8 |
| 2 (CH) | 125 |
| 3 (CH) | 121.3 |
| 4 (C) | 139.5 |
| 5 (CH2) | 40.1 |
| 6 (CH2) | 25.9 |
| 7 (CH) | 126.3 |
| 8 (C) | 134 |
| 9 (CH2) | 36.5 |
| 10 (CH2) | 24.6 |
| 11 (CH) | 58.4 |
| 12 (C) | 59.9 |
| 13 (CH) | 73.2 |
| 14 (CH) | 68.6 |
| 15 (CH) | 28.3 |
| 16 (CH3) | 24.7 |
| 17 (CH3) | 24.8 |
| 18 (CH3) | 16.2 |
| 19 (CH3) | 15 |
| 20 (CH3) | 16.8 |
| 13a (C) | 170.6 |
| 13b (CH3) | 20.7 |
| 14a (C) | 169.1 |
| 14b (CH3) | 20.8 |
