Spektraris NMR
12-O-Deacetylscalarafuran
Common Name: 12-O-Deacetylscalarafuran
Synonyms: 12-O-Deacetylscalarafuran
CAS Registry Number:
InChI: InChI=1S/C25H38O2/c1-22(2)10-6-11-23(3)18(22)9-12-24(4)19-8-7-16-14-27-15-17(16)25(19,5)21(26)13-20(23)24/h14-15,18-21,26H,6-13H2,1-5H3/t18-,19-,20+,21+,23-,24-,25+/m0/s1
InChIKey: InChIKey=UDGNYLDZHGKWLT-XTKXXMFCSA-N
Formula: C25H38O2
Molecular Weight: 370.568956
Exact Mass: 370.28718
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tsukamoto, S., Miura, S., van Soest, R.W., Ohta, T. J Nat Prod (2003) 66, 438-40
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) | 18.6 |
| 3 (CH2) | 42 |
| 4 (C) | 33.3 |
| 5 (CH) | 56.7 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 41.7 |
| 8 (C) | 37.5 |
| 9 (CH) | 58.8 |
| 10 (C) | 37.5 |
| 11 (CH2) | 28 |
| 12 (CH) | 80 |
| 13 (C) | 40.4 |
| 14 (CH) | 55.8 |
| 15 (CH2) | 17.7 |
| 16 (CH2) | 21 |
| 17 (C) | 119.9 |
| 18 (C) | 134.6 |
| 19 (CH) | 137.4 |
| 20 (CH) | 136.2 |
| 21 (CH3) | 33.3 |
| 22 (CH3) | 21.3 |
| 23 (CH3) | 16.2 |
| 24 (CH3) | 17.6 |
| 25 (CH3) | 19.2 |
