Spektraris NMR
12-Deacetoxy-12-epi-deoxoscalarin
Common Name: 12-Deacetoxy-12-epi-deoxoscalarin
Synonyms: 12-Deacetoxy-12-epi-deoxoscalarin
CAS Registry Number:
InChI: InChI=1S/C25H40O3/c1-22(2)10-6-11-23(3)16(22)9-12-24(4)17-8-7-15-14-28-21(27)20(15)25(17,5)19(26)13-18(23)24/h7,16-21,26-27H,6,8-14H2,1-5H3/t16-,17-,18+,19+,20+,21+,23-,24-,25+/m0/s1
InChIKey: InChIKey=TVZPMYDGQOHLDW-VKYCOJTLSA-N
Formula: C25H40O3
Molecular Weight: 388.584242
Exact Mass: 388.297745
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tsuchiya, N., Sato, A., Hata, T., Sato, N., Sasagawa, K., Kobayashi, T. J Nat Prod (1998) 61, 468-73
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) | 40 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 41.7 |
| 4 (C) | 33.3 |
| 5 (CH) | 56.6 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 42.2 |
| 8 (C) | 37.6 |
| 9 (CH) | 58.9 |
| 10 (C) | 37.6 |
| 11 (CH2) | 25.6 |
| 12 (CH) | 81.2 |
| 13 (C) | 49.5 |
| 14 (CH) | 53.4 |
| 15 (CH2) | 22.1 |
| 16 (CH) | 117.3 |
| 17 (C) | 134.8 |
| 18 (CH) | 59.2 |
| 19 (CH) | 106.3 |
| 20 (CH2) | 68.7 |
| 21 (CH3) | 33.3 |
| 22 (CH3) | 21.3 |
| 23 (CH3) | 16.6 |
| 24 (CH3) | 17.1 |
| 25 (CH3) | 8.8 |
