Spektraris NMR
(1R,2R)-Diacetoxycycloax-4(15)-ene
Common Name: (1R,2R)-Diacetoxycycloax-4(15)-ene
Synonyms: (1R,2R)-Diacetoxycycloax-4(15)-ene
CAS Registry Number:
InChI: InChI=1S/C19H28O4/c1-9(2)15-13-8-19(6)17(16(13)15)10(3)7-14(22-11(4)20)18(19)23-12(5)21/h9,13-18H,3,7-8H2,1-2,4-6H3/t13-,14-,15-,16-,17-,18+,19+/m1/s1
InChIKey: InChIKey=UKGDCOHQAITGCA-NVTXSZTESA-N
Formula: C19H28O4
Molecular Weight: 320.423943
Exact Mass: 320.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - García, A., Delgado, G. Helv Chim Acta (2006) 89, 16-29
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Axanes; 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) | 75.4 |
| 2 (CH) | 72 |
| 3 (CH2) | 36.5 |
| 4 (C) | 141.4 |
| 5 (CH) | 60.5 |
| 6 (CH) | 31.2 |
| 7 (CH) | 47.7 |
| 8 (CH) | 24.5 |
| 9 (CH2) | 42.3 |
| 10 (C) | 58.4 |
| 11 (CH) | 32.1 |
| 12 (CH3) | 21.8 |
| 13 (CH3) | 21.6 |
| 14 (CH3) | 17.9 |
| 15 (CH2) | 114.3 |
| 1a (C) | 171.1 |
| 1b (CH3) | 21 |
| 2a (C) | 170.3 |
| 2b (CH3) | 21 |
