Spektraris NMR
Diacarnoate B Methyl Ester
Common Name: Diacarnoate B Methyl Ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H40O5/c1-16-18(25(6)12-8-11-23(3,4)21(25)15-19(16)26)9-13-24(5)14-10-20(29-30-24)17(2)22(27)28-7/h17,20-21H,8-15H2,1-7H3/t17-,20-,21-,24+,25+/m0/s1
InChIKey: InChIKey=PDWDODCLXVJGRQ-BFSQPMCKSA-N
Formula: C25H40O5
Molecular Weight: 420.583052
Exact Mass: 420.287574
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - D'Ambrosio, M., A.Guerriero, Deharo, E., Debitus, C., Munoz, V., Pietra, F. Helv Chim Acta (1998) 81, 1285-92
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Bicarbocyclics; 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 (CH2) | 35.9 |
| 2 (CH2) | 18.59 |
| 3 (CH2) | 41.27 |
| 4 (C) | 33.11 |
| 5 (CH) | 50.24 |
| 6 (CH2) | 35.2 |
| 7 (C) | 200.2 |
| 8 (C) | 130.31 |
| 9 (C) | 167.46 |
| 10 (C) | 41.08 |
| 11 (CH2) | 22.77 |
| 12 (CH2) | 38.64 |
| 13 (C) | 79.9 |
| 14 (CH2) | 31.94 |
| 15 (CH2) | 22.63 |
| 16 (CH) | 81.66 |
| 17 (CH) | 42.62 |
| 18 (C) | 174.44 |
| 20 (CH3) | 12.88 |
| 21 (CH3) | 20.37 |
| 22 (CH3) | 11.33 |
| 23 (CH3) | 32.51 |
| 24 (CH3) | 21.32 |
| 25 (CH3) | 18.12 |
| 18a (CH3) | 51.98 |
