Spektraris NMR
12,13-Bisepiuprolide B
Common Name: 12,13-Bisepiuprolide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-12-7-5-8-19(3,23)9-6-10-20(4)15(25-20)11-14-13(2)18(22)24-17(14)16(12)21/h6,9,12,14-17,21,23H,2,5,7-8,10-11H2,1,3-4H3/b9-6-/t12-,14+,15-,16+,17-,19+,20-/m1/s1
InChIKey: InChIKey=MOFGPWYUTFMNGE-QUUNXUSMSA-N
Formula: C20H30O5
Molecular Weight: 350.449965
Exact Mass: 350.209324
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) | 39.2 |
| 2 (CH2) | 30.3 |
| 3 (CH) | 58 |
| 4 (C) | 61.3 |
| 5 (CH2) | 42.7 |
| 6 (CH) | 128.3 |
| 7 (CH) | 136.2 |
| 8 (C) | 84.5 |
| 9 (CH2) | 34.3 |
| 10 (CH2) | 19.6 |
| 11 (CH2) | 30.9 |
| 12 (CH) | 30.2 |
| 13 (CH) | 68 |
| 14 (CH) | 78.6 |
| 15 (C) | 138.7 |
| 16 (C) | 170.1 |
| 17 (CH2) | 124.7 |
| 18 (CH3) | 17 |
| 19 (CH3) | 20.5 |
| 20 (CH3) | 13.3 |
