Spektraris NMR
12-O-Deacetyl-19-epi-scalarin
Common Name: 12-O-Deacetyl-19-epi-scalarin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H38O4/c1-22(2)10-6-11-23(3)15(22)9-12-24(4)16-8-7-14-19(21(28)29-20(14)27)25(16,5)18(26)13-17(23)24/h7,15-19,21,26,28H,6,8-13H2,1-5H3/t15-,16-,17+,18-,19+,21-,23-,24-,25+/m0/s1
InChIKey: InChIKey=ATVQOEWPZTUPDT-BGYAJGAUSA-N
Formula: C25H38O4
Molecular Weight: 402.567766
Exact Mass: 402.27701
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) | 39.9 |
| 2 (CH2) | 18.5 |
| 3 (CH2) | 42 |
| 4 (C) | 33.3 |
| 5 (CH) | 56.5 |
| 6 (CH2) | 18 |
| 7 (CH2) | 41.7 |
| 8 (C) | 37.9 |
| 9 (CH) | 51.6 |
| 10 (C) | 36.8 |
| 11 (CH2) | 25.9 |
| 12 (CH) | 72.3 |
| 13 (C) | 40.1 |
| 14 (CH) | 50.8 |
| 15 (CH2) | 24.6 |
| 16 (CH) | 135.5 |
| 17 (C) | 127.1 |
| 18 (CH) | 46.6 |
| 19 (CH) | 106.6 |
| 20 (C) | 169.3 |
| 21 (CH3) | 33.2 |
| 22 (CH3) | 21.3 |
| 23 (CH3) | 16.4 |
| 24 (CH3) | 16.1 |
| 25 (CH3) | 15.3 |
