Spektraris NMR
Upralide D acetate
Common Name: Upralide D acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O6/c1-12-7-6-8-13(2)19(26-15(4)23)20-16(14(3)21(25)27-20)11-18(24)22(5)10-9-17(12)28-22/h13,16-20,24H,1,3,6-11H2,2,4-5H3/t13-,16+,17-,18+,19+,20-,22+/m1/s1
InChIKey: InChIKey=WUFJYPLWWXQZJB-MUEBAIKNSA-N
Formula: C22H32O6
Molecular Weight: 392.486723
Exact Mass: 392.219889
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Soto, J.J., Pina, I.C. J Nat Prod (1995) 58, 1209-16
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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) | 37.8 |
| 2 (CH2) | 28.8 |
| 3 (CH) | 72.4 |
| 4 (C) | 84.8 |
| 5 (CH2) | 35.5 |
| 6 (CH2) | 33.9 |
| 7 (CH) | 83.3 |
| 8 (C) | 147.5 |
| 9 (CH2) | 29.7 |
| 10 (CH2) | 27.8 |
| 11 (CH2) | 32.9 |
| 12 (CH) | 29.7 |
| 13 (CH) | 70.4 |
| 14 (CH) | 79 |
| 15 (C) | 138.8 |
| 16 (C) | 169.7 |
| 17 (CH2) | 122.4 |
| 18 (CH3) | 25.1 |
| 19 (CH2) | 115.7 |
| 20 (CH3) | 15.4 |
| 13a (C) | 170.6 |
| 13b (CH3) | 20.9 |
