Spektraris NMR
(1S,4R,5R,7S,8R,9S,10S)-7,8,9-Triacetyloxyuruap-3(12)-ene
Common Name: (1S,4R,5R,7S,8R,9S,10S)-7,8,9-Triacetyloxyuruap-3(12)-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O6/c1-10-8-14-9-21(7)15(10)16(14)20(5,6)18(26-12(3)23)17(25-11(2)22)19(21)27-13(4)24/h14-19H,1,8-9H2,2-7H3/t14-,15-,16-,17+,18+,19+,21-/m0/s1
InChIKey: InChIKey=UUGAASCOWHNKOT-LFAMQVMPSA-N
Formula: C21H30O6
Molecular Weight: 378.460106
Exact Mass: 378.204239
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Roman, L.U., Cerda-Garcia-Rojas, C.M., Guzman, R., Armenta, C., Hernandez, J.D., Joseph-Nathan, P. J Nat Prod (2002) 65, 1540-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Oxyuruapanes; 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 (CH) | 63.2 |
| 2 (CH) | 53.6 |
| 3 (C) | 148.9 |
| 4 (CH2) | 39 |
| 5 (CH) | 38.4 |
| 6 (CH2) | 39.1 |
| 7 (C) | 42.6 |
| 8 (CH) | 75.6 |
| 9 (CH) | 68.6 |
| 10 (CH) | 71.3 |
| 11 (C) | 37.1 |
| 12 (CH3) | 26.8 |
| 13 (CH3) | 24.1 |
| 14 (CH3) | 29.3 |
| 15 (CH2) | 105.4 |
| 8a (C) | 170.1 |
| 8b (CH3) | 21.4 |
| 9a (C) | 169 |
| 9b (CH3) | 21.2 |
| 10a (C) | 168.6 |
| 10b (CH3) | 21.1 |
