Spektraris NMR
Norscalaral B
Common Name: Norscalaral B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H40O4/c1-16(28)30-22-13-21-24(4)10-7-9-23(2,3)19(24)8-11-25(21,5)20-12-18(29)17(15-27)14-26(20,22)6/h14-15,18-22,29H,7-13H2,1-6H3/t18-,19+,20+,21-,22+,24+,25+,26-/m1/s1
InChIKey: InChIKey=SRMCXSOBWOJXSU-PJFQAKDASA-N
Formula: C26H40O4
Molecular Weight: 416.594383
Exact Mass: 416.29266
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) | 18.5 |
| 3 (CH2) | 42 |
| 4 (C) | 33.3 |
| 5 (CH) | 56.5 |
| 6 (CH2) | 18 |
| 7 (CH2) | 40.8 |
| 8 (C) | 36.9 |
| 9 (CH) | 52.9 |
| 10 (C) | 37 |
| 11 (CH2) | 22.1 |
| 12 (CH) | 76.3 |
| 13 (C) | 41.6 |
| 14 (CH) | 44.3 |
| 15 (CH2) | 25.2 |
| 16 (CH) | 61.9 |
| 17 (C) | 139.9 |
| 18 (CH) | 160.9 |
| 19 (CH3) | 33.2 |
| 20 (CH3) | 21.3 |
| 21 (CH3) | 15.9 |
| 22 (CH3) | 17 |
| 23 (CH3) | 19.6 |
| 24 (CH) | 195.1 |
| 12a (C) | 170.8 |
| 12b (CH3) | 21.4 |
