Spektraris NMR
Uprolide F diucetute
Common Name: Uprolide F diucetute
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H36O8/c1-13-8-7-10-24(6,31-16(4)26)19-9-11-23(5,32-19)18(27)12-17-14(2)22(28)30-21(17)20(13)29-15(3)25/h13,17-21,27H,2,7-12H2,1,3-6H3/t13-,17+,18+,19-,20+,21-,23+,24+/m1/s1
InChIKey: InChIKey=TUPKWCKPSBAMQW-MLVCFTHOSA-N
Formula: C24H36O8
Molecular Weight: 452.538768
Exact Mass: 452.241018
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Soto, J.J., Pina, I.C. J Nat Prod (1995) 58, 1209-16
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) | 41.9 |
| 2 (CH2) | 25.7 |
| 3 (CH) | 83.4 |
| 4 (C) | 75.6 |
| 5 (CH2) | 35.4 |
| 6 (CH2) | 36.6 |
| 7 (CH) | 88.2 |
| 8 (C) | 80.4 |
| 9 (CH2) | 18.3 |
| 10 (CH2) | 24.9 |
| 11 (CH2) | 28.6 |
| 12 (CH) | 33.2 |
| 13 (CH) | 72.8 |
| 14 (CH) | 79.4 |
| 15 (C) | 139.2 |
| 16 (C) | 169.9 |
| 17 (CH2) | 116.4 |
| 18 (CH3) | 29.7 |
| 19 (CH3) | 18.2 |
| 20 (CH3) | 14.9 |
| 8a (C) | 170.3 |
| 8b (CH3) | 20.9 |
| 13a (C) | 170.9 |
| 13b (CH3) | 22.3 |
