Spektraris NMR
Umbellacin F
Common Name: Umbellacin F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H36O6/c1-15-8-7-9-16(2)21(22(26)28-6)19(12-10-15)18(14-29-17(3)24)11-13-20(25)23(4,5)27/h8,11,19-21,25,27H,2,7,9-10,12-14H2,1,3-6H3/b15-8+,18-11-/t19-,20?,21+/m1/s1
InChIKey: InChIKey=YGHNFMWREFYWQH-ORVCBHKISA-N
Formula: C23H36O6
Molecular Weight: 408.529222
Exact Mass: 408.251189
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - El-Gamal, A.A., Wang, S.K., Duh, C.Y. J Nat Prod (2006) 69, 338-41
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Xenicanes; 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) | 144.2 |
| 2 (CH) | 61.4 |
| 3 (CH) | 37.8 |
| 4 (CH2) | 32.3 |
| 5 (CH2) | 39.9 |
| 6 (C) | 136 |
| 7 (CH) | 124.6 |
| 8 (CH2) | 28.9 |
| 9 (CH2) | 30.9 |
| 10 (C) | 139.5 |
| 11 (CH) | 126.7 |
| 12 (CH2) | 30.8 |
| 13 (CH) | 77.3 |
| 14 (C) | 73 |
| 15 (CH3) | 24 |
| 16 (CH3) | 26.5 |
| 17 (CH2) | 66 |
| 18 (C) | 173.2 |
| 19 (CH2) | 120.3 |
| 20 (CH3) | 18.6 |
| 17a (C) | 170.9 |
| 17b (CH3) | 21.2 |
| 18a (CH3) | 51.7 |
