Spektraris NMR
Umbellacin D
Common Name: Umbellacin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H36O7/c1-14(24)29-12-15(6-7-17(25)21(2,3)27)16-8-10-22(4)18-9-11-23(22,13-30-18)19(16)20(26)28-5/h6,16-19,25,27H,7-13H2,1-5H3/b15-6-/t16-,17?,18+,19+,22-,23-/m1/s1
InChIKey: InChIKey=PVGXBCPJSPFGIO-QQFDYEPQSA-N
Formula: C23H36O7
Molecular Weight: 424.528627
Exact Mass: 424.246104
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) | 47.7 |
| 2 (CH) | 43.4 |
| 3 (CH) | 34.8 |
| 4 (CH2) | 26.1 |
| 5 (CH2) | 28.8 |
| 6 (C) | 48.8 |
| 7 (CH) | 83.4 |
| 8 (CH2) | 28 |
| 9 (CH2) | 28.3 |
| 10 (C) | 136.8 |
| 11 (CH) | 131.5 |
| 12 (CH2) | 30.3 |
| 13 (CH) | 77.8 |
| 14 (C) | 73 |
| 15 (CH3) | 24.2 |
| 16 (CH3) | 26.5 |
| 17 (CH2) | 66.7 |
| 18 (C) | 173.1 |
| 19 (CH2) | 76.3 |
| 20 (CH3) | 15.2 |
| 17a (C) | 170.6 |
| 17b (CH3) | 21.1 |
| 18a (CH3) | 51.5 |
