Spektraris NMR
CHEMBL497267
Common Name: CHEMBL497267
Synonyms: CHEMBL497267
CAS Registry Number:
InChI: InChI=1S/C26H42O3/c1-15-16-8-9-18-25(5)13-10-17-23(2,3)11-7-12-24(17,4)19(25)14-20(27)26(18,6)21(16)22(28)29-15/h8,15,17-22,27-28H,7,9-14H2,1-6H3/t15-,17-,18-,19+,20+,21+,22+,24-,25-,26+/m0/s1
InChIKey: InChIKey=QHFVSFLUJAOZGP-GHHYXYIFSA-N
Formula: C26H42O3
Molecular Weight: 402.61086
Exact Mass: 402.313395
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jaspars, M., Jackson, E., Lobkovsky, E., Clardy, J., Diaz, M.C., Crews, P. J Nat Prod (1997) 60, 556-61
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) | 39.9 |
| 2 (CH2) | 18.1 |
| 3 (CH2) | 41.6 |
| 4 (C) | 33.3 |
| 5 (CH) | 56.5 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 42.1 |
| 8 (C) | 37.4 |
| 9 (CH) | 58.9 |
| 10 (C) | 37.4 |
| 11 (CH2) | 25.9 |
| 12 (CH) | 81.2 |
| 13 (C) | 39.9 |
| 14 (CH) | 53.2 |
| 15 (CH2) | 22 |
| 16 (CH) | 116.4 |
| 17 (C) | 140.2 |
| 18 (CH) | 61.4 |
| 19 (CH3) | 33.3 |
| 20 (CH3) | 21.3 |
| 21 (CH3) | 16.6 |
| 22 (CH3) | 17 |
| 23 (CH3) | 8.7 |
| 24 (CH) | 74.5 |
| 25 (CH) | 97.8 |
| 26 (CH3) | 19.3 |
