Spektraris NMR
16-Acetoxy-dihydrodeoxoscalarin
Common Name: 16-Acetoxy-dihydrodeoxoscalarin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H46O6/c1-16(30)34-19-13-22-28(6)12-9-20-26(3,4)10-8-11-27(20,5)21(28)14-23(35-17(2)31)29(22,7)24-18(19)15-33-25(24)32/h18-25,32H,8-15H2,1-7H3/t18-,19-,20-,21+,22-,23-,24+,25+,27-,28+,29+/m0/s1
InChIKey: InChIKey=SYOILYZIQJEUHN-FUEYAXPISA-N
Formula: C29H46O6
Molecular Weight: 490.673045
Exact Mass: 490.329439
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tsoukatou, M., Siapi, H., Vagias, C., Roussis, V. J Nat Prod (2003) 66, 444-6
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) | 39.64 |
| 2 (CH2) | 18.49 |
| 3 (CH2) | 41.98 |
| 4 (C) | 33.21 |
| 5 (CH) | 56.52 |
| 6 (CH2) | 18.09 |
| 7 (CH2) | 41.67 |
| 8 (C) | 36.87 |
| 9 (CH) | 52.04 |
| 10 (C) | 37.62 |
| 11 (CH2) | 21.9 |
| 12 (CH) | 74.23 |
| 13 (C) | 37.62 |
| 14 (CH) | 51.07 |
| 15 (CH2) | 21.89 |
| 16 (CH) | 72.61 |
| 17 (CH) | 37.62 |
| 18 (CH) | 51.21 |
| 19 (CH3) | 33.21 |
| 20 (CH3) | 21.3 |
| 21 (CH3) | 14.19 |
| 22 (CH3) | 16.06 |
| 23 (CH3) | 16.86 |
| 24 (CH2) | 69.45 |
| 25 (CH) | 99.73 |
| 12a (C) | 171 |
| 12b (CH3) | 21.07 |
| 16a (C) | 171 |
| 16b (CH3) | 21.3 |
