Spektraris NMR
Umbellacin I
Common Name: Umbellacin I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H38O8/c1-14(24)31-12-15(6-7-17(25)21(2,3)28)16-8-10-22(4)13-23(29,11-9-18(22)26)19(16)20(27)30-5/h6,16-19,25-26,28-29H,7-13H2,1-5H3/b15-6-/t16-,17?,18+,19+,22+,23-/m1/s1
InChIKey: InChIKey=YFLWESDPLOQEEL-ZWSNCZPRSA-N
Formula: C23H38O8
Molecular Weight: 442.543914
Exact Mass: 442.256668
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) | 73.4 |
| 2 (CH) | 61 |
| 3 (CH) | 39.5 |
| 4 (CH2) | 29.8 |
| 5 (CH2) | 38.5 |
| 6 (C) | 37.2 |
| 7 (CH) | 73.8 |
| 8 (CH2) | 27.5 |
| 9 (CH2) | 28.3 |
| 10 (C) | 138.8 |
| 11 (CH) | 128.3 |
| 12 (CH2) | 30.2 |
| 13 (CH) | 77.3 |
| 14 (C) | 73.1 |
| 15 (CH3) | 23.9 |
| 16 (CH3) | 26.4 |
| 17 (CH2) | 65.1 |
| 18 (C) | 173.7 |
| 19 (CH2) | 43.9 |
| 20 (CH3) | 29.8 |
| 17a (C) | 171 |
| 17b (CH3) | 21.3 |
| 18a (CH3) | 51.6 |
