Spektraris NMR
Epimuqubilin A
Common Name: Epimuqubilin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H40O4/c1-17(11-12-20-18(2)10-8-14-23(20,4)5)9-7-15-24(6)16-13-21(27-28-24)19(3)22(25)26/h9,19,21H,7-8,10-16H2,1-6H3,(H,25,26)/b17-9+/t19-,21-,24-/m0/s1
InChIKey: InChIKey=ZJKZMXQQSDVDLA-NCFLSLSRSA-N
Formula: C24H40O4
Molecular Weight: 392.572911
Exact Mass: 392.29266
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sperry, S., Valeriote, F.A., Corbett, T.H., Crews, P. J Nat Prod (1998) 61, 241-7
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Monocarbocyclics; 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 |
|---|---|
| 2 (C) | 180 |
| 3 (CH) | 43 |
| 4 (CH) | 81.2 |
| 5 (CH2) | 24 |
| 6 (CH2) | 32.5 |
| 7 (C) | 80.2 |
| 8 (CH2) | 34.9 |
| 9 (CH2) | 22.1 |
| 10 (CH) | 123.5 |
| 11 (C) | 136.4 |
| 12 (CH2) | 39.9 |
| 13 (CH2) | 27.9 |
| 14 (C) | 137.2 |
| 15 (C) | 127 |
| 16 (CH2) | 32.8 |
| 17 (CH2) | 40.2 |
| 18 (CH2) | 19.6 |
| 19 (C) | 34.9 |
| 20 (CH3) | 28.7 |
| 21 (CH3) | 28.7 |
| 22 (CH3) | 19.9 |
| 23 (CH3) | 16 |
| 24 (CH3) | 23.9 |
| 25 (CH3) | 12.7 |
