Spektraris NMR
Suberosenol B acetate
Common Name: Suberosenol B acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H26O2/c1-10-6-7-13-14-8-15(19-12(3)18)11(2)17(10,14)9-16(13,4)5/h10,13-15H,2,6-9H2,1,3-5H3/t10-,13-,14-,15+,17+/m0/s1
InChIKey: InChIKey=UZRAQUNNGNYEHD-HKUUDPCDSA-N
Formula: C17H26O2
Molecular Weight: 262.38778
Exact Mass: 262.19328
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sheu, J.H., Hung, K.C., Wang, G.H., Duh, C.Y. J Nat Prod (2000) 63, 1603-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Suberosanes; 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 (C) | 59 |
| 2 (CH) | 49.3 |
| 3 (CH2) | 35.8 |
| 4 (CH) | 78.5 |
| 5 (C) | 157.5 |
| 6 (CH2) | 110.7 |
| 7 (CH3) | 17.5 |
| 8 (CH) | 37.4 |
| 9 (CH2) | 26.5 |
| 10 (CH2) | 27.8 |
| 11 (CH) | 49.5 |
| 12 (CH2) | 55 |
| 13 (C) | 39.6 |
| 14 (CH3) | 26.9 |
| 15 (CH3) | 34.9 |
| 4a (C) | 170.7 |
| 4b (CH3) | 21.5 |
