Spektraris NMR
Umbellacin H
Common Name: Umbellacin H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H36O7/c1-14-7-10-19-23(5,30-19)12-11-17(20(14)21(26)28-6)16(13-29-15(2)24)8-9-18(25)22(3,4)27/h8,17-20,25,27H,1,7,9-13H2,2-6H3/b16-8-/t17-,18?,19?,20+,23+/m1/s1
InChIKey: InChIKey=URLHJBAPTRSOSU-IUZHZGBGSA-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) | 143.1 |
| 2 (CH) | 60.7 |
| 3 (CH) | 37.9 |
| 4 (CH2) | 29.1 |
| 5 (CH2) | 38.3 |
| 6 (C) | 59.7 |
| 7 (CH) | 63.7 |
| 8 (CH2) | 27.3 |
| 9 (CH2) | 26.1 |
| 10 (C) | 138.4 |
| 11 (CH) | 128.2 |
| 12 (CH2) | 30.7 |
| 13 (CH) | 77.3 |
| 14 (C) | 72.9 |
| 15 (CH3) | 24 |
| 16 (CH3) | 26.5 |
| 17 (CH2) | 65.5 |
| 18 (C) | 172.8 |
| 19 (CH2) | 121.3 |
| 20 (CH3) | 18.8 |
| 17a (C) | 170.8 |
| 17b (CH3) | 21.2 |
| 18a (CH3) | 51.9 |
