Spektraris NMR
19-Dihydroscalaradial
Common Name: 19-Dihydroscalaradial
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H42O4/c1-17(30)31-23-14-22-25(4)12-7-11-24(2,3)20(25)10-13-26(22,5)21-9-8-18(15-28)19(16-29)27(21,23)6/h8,15,19-23,29H,7,9-14,16H2,1-6H3/t19-,20-,21-,22+,23-,25-,26-,27+/m0/s1
InChIKey: InChIKey=ZKTHELRJMLNXBB-QGERINELSA-N
Formula: C27H42O4
Molecular Weight: 430.621001
Exact Mass: 430.30831
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) | 39.6 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 42 |
| 4 (C) | 33.2 |
| 5 (CH) | 56.4 |
| 6 (CH2) | 18 |
| 7 (CH2) | 41.4 |
| 8 (C) | 36.7 |
| 9 (CH) | 51.8 |
| 10 (C) | 36.8 |
| 11 (CH2) | 22.5 |
| 12 (CH) | 74 |
| 13 (C) | 37.5 |
| 14 (CH) | 49.7 |
| 15 (CH2) | 24.8 |
| 16 (CH) | 156.1 |
| 17 (C) | 142.9 |
| 18 (CH) | 47 |
| 19 (CH3) | 33.2 |
| 20 (CH3) | 21.3 |
| 21 (CH3) | 16.2 |
| 22 (CH3) | 16.2 |
| 23 (CH3) | 14.5 |
| 24 (CH) | 197.2 |
| 25 (CH2) | 59.7 |
| 12a (C) | 170.1 |
| 12b (CH3) | 21.2 |
