Spektraris NMR
12,13-Bisepiuprolide B acetate
Common Name: 12,13-Bisepiuprolide B acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O6/c1-13-8-6-9-21(4,25)10-7-11-22(5)17(28-22)12-16-14(2)20(24)27-19(16)18(13)26-15(3)23/h7,10,13,16-19,25H,2,6,8-9,11-12H2,1,3-5H3/b10-7-/t13-,16+,17-,18+,19-,21+,22-/m1/s1
InChIKey: InChIKey=CGVZYHBETIKAGN-NPADSINFSA-N
Formula: C22H32O6
Molecular Weight: 392.486723
Exact Mass: 392.219889
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Acosta, A.L. J Nat Prod (1998) 61, 40-5
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) | 39.3 |
| 2 (CH2) | 30.8 |
| 3 (CH) | 57.1 |
| 4 (C) | 61.3 |
| 5 (CH2) | 42.5 |
| 6 (CH) | 127.8 |
| 7 (CH) | 136.3 |
| 8 (C) | 84.9 |
| 9 (CH2) | 35 |
| 10 (CH2) | 19.7 |
| 11 (CH2) | 31.5 |
| 12 (CH) | 30.7 |
| 13 (CH) | 69.6 |
| 14 (CH) | 77 |
| 15 (C) | 138.7 |
| 16 (C) | 169.9 |
| 17 (CH2) | 124.6 |
| 18 (CH3) | 17.3 |
| 19 (CH3) | 20.4 |
| 20 (CH3) | 14.5 |
| 13a (C) | 169.4 |
| 13b (CH3) | 20.8 |
