Spektraris NMR
Umbellacin B
Common Name: Umbellacin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H36O7/c1-14(2)18(25)7-6-16(12-30-15(3)24)17-8-10-22(4)13-23(28,11-9-19(22)26)20(17)21(27)29-5/h6,17-20,25-26,28H,1,7-13H2,2-5H3/b16-6-/t17-,18?,19+,20+,22+,23-/m1/s1
InChIKey: InChIKey=XXCNRYRAZQDXFI-HUZAWSHDSA-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) | 74.4 |
| 2 (CH) | 61 |
| 3 (CH) | 39.9 |
| 4 (CH2) | 29.9 |
| 5 (CH2) | 27.6 |
| 6 (C) | 37.2 |
| 7 (CH) | 73.4 |
| 8 (CH2) | 28.6 |
| 9 (CH2) | 38.6 |
| 10 (C) | 139.1 |
| 11 (CH) | 127.2 |
| 12 (CH2) | 33.2 |
| 13 (CH) | 73.8 |
| 14 (C) | 146.6 |
| 15 (CH3) | 18.5 |
| 16 (CH2) | 111 |
| 17 (CH2) | 65.1 |
| 18 (C) | 173.5 |
| 19 (CH2) | 43.8 |
| 20 (CH3) | 29.8 |
| 17a (C) | 170.7 |
| 17b (CH3) | 21.2 |
| 18a (CH3) | 51.7 |
