Spektraris NMR
12-O-Deacetylnorscalaral B
Common Name: 12-O-Deacetylnorscalaral B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H38O3/c1-21(2)8-6-9-22(3)17(21)7-10-23(4)18-11-16(26)15(14-25)13-24(18,5)20(27)12-19(22)23/h13-14,16-20,26-27H,6-12H2,1-5H3/t16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
InChIKey: InChIKey=DYYUCJSMROWEPH-YDDDFPBNSA-N
Formula: C24H38O3
Molecular Weight: 374.557625
Exact Mass: 374.282095
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hernandez-Guerrero, C.J., Zubia, E., Ortega, M.J., Carballo, J.L. Tetrahedron (2006) 62, 5392-400
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) | 39.8 |
| 2 (CH2) | 18.5 |
| 3 (CH2) | 42 |
| 4 (C) | 33.2 |
| 5 (CH) | 56.6 |
| 6 (CH2) | 18 |
| 7 (CH2) | 40.9 |
| 8 (C) | 37.1 |
| 9 (CH) | 52.3 |
| 10 (C) | 37 |
| 11 (CH2) | 25.1 |
| 12 (CH) | 74.5 |
| 13 (C) | 42.8 |
| 14 (CH) | 43.3 |
| 15 (CH2) | 25.2 |
| 16 (CH) | 62 |
| 17 (C) | 139.6 |
| 18 (CH) | 162.5 |
| 20 (CH) | 195.1 |
| 21 (CH3) | 33.2 |
| 22 (CH3) | 21.3 |
| 23 (CH3) | 16.1 |
| 24 (CH3) | 17.1 |
| 25 (CH3) | 19.9 |
