Spektraris NMR
Umbellacin A
Common Name: Umbellacin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-18(2,24)8-4-5-14(11-21)15-6-9-19(3)13-20(25,16(15)12-22)10-7-17(19)23/h4-5,8,11-12,15-17,23-25H,6-7,9-10,13H2,1-3H3/b8-4+,14-5-/t15-,16-,17+,19+,20-/m1/s1
InChIKey: InChIKey=KPSZOQWGVJOAOO-KQXBVMMPSA-N
Formula: C20H30O5
Molecular Weight: 350.449965
Exact Mass: 350.209324
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) | 74.9 |
| 2 (CH) | 59.1 |
| 3 (CH) | 34.5 |
| 4 (CH2) | 29.6 |
| 5 (CH2) | 29.1 |
| 6 (C) | 37.2 |
| 7 (CH) | 73.6 |
| 8 (CH2) | 27.9 |
| 9 (CH2) | 38.6 |
| 10 (C) | 134.4 |
| 11 (CH) | 150.5 |
| 12 (CH) | 121.4 |
| 13 (CH) | 153.4 |
| 14 (C) | 71.2 |
| 15 (CH3) | 29.8 |
| 16 (CH3) | 29.8 |
| 17 (CH) | 194.8 |
| 18 (CH) | 207 |
| 19 (CH2) | 44.4 |
| 20 (CH3) | 29.6 |
