Spektraris NMR
12-epi-Acetylscalarolide
Common Name: 12-epi-Acetylscalarolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H40O4/c1-16(28)31-21-14-20-25(4)12-7-11-24(2,3)18(25)10-13-26(20,5)19-9-8-17-15-30-23(29)22(17)27(19,21)6/h18-21H,7-15H2,1-6H3/t18-,19-,20+,21-,25-,26-,27+/m0/s1
InChIKey: InChIKey=VTMMZXSCCONZLT-ZMXNOTNESA-N
Formula: C27H40O4
Molecular Weight: 428.605119
Exact Mass: 428.29266
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rueda, A., Zubia, E., Ortega, M.J., Carballo, J.L., Salva, J. J Org Chem (1997) 62, 1481-5
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Scalaranes; 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) | 39.7 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 42 |
| 4 (C) | 33.3 |
| 5 (CH) | 56.7 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 41.5 |
| 8 (C) | 38.6 |
| 9 (CH) | 53 |
| 10 (C) | 37.5 |
| 11 (CH2) | 20.9 |
| 12 (CH) | 73.9 |
| 13 (C) | 36.9 |
| 14 (CH) | 51.2 |
| 15 (CH2) | 16.8 |
| 16 (CH2) | 24.9 |
| 17 (C) | 133 |
| 18 (C) | 159.7 |
| 19 (CH3) | 33.3 |
| 20 (CH3) | 21.3 |
| 21 (CH3) | 15.9 |
| 22 (CH3) | 17 |
| 23 (CH3) | 21.3 |
| 24 (CH2) | 70.8 |
| 25 (C) | 169.8 |
| 12a (C) | 171.7 |
| 12b (CH3) | 21.2 |
