Spektraris NMR
Ibosol
Common Name: Ibosol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-13(2)19(22)11-14-7-8-15-17(3,4)9-6-10-18(15,5)20(14,23)16(21)12-19/h7,13,15-16,21-23H,6,8-12H2,1-5H3/t15-,16+,18-,19-,20-/m0/s1
InChIKey: InChIKey=JMLGCIQXKBNQNX-DLRXZHIHSA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - De Carvalho, M.G., Rumjanek, V.M., Lopes, M.D.S., De Carvalho, A.G. Phytochemistry (1998) 49, 1101-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 37.7 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 41.1 |
| 4 (C) | 33 |
| 5 (CH) | 43.4 |
| 6 (CH2) | 24.3 |
| 7 (CH) | 130.6 |
| 8 (C) | 134 |
| 9 (C) | 76.3 |
| 10 (C) | 42.1 |
| 11 (CH) | 68.8 |
| 12 (CH2) | 39 |
| 13 (C) | 73.9 |
| 14 (CH2) | 41.7 |
| 15 (CH) | 34.6 |
| 16 (CH3) | 16.8 |
| 17 (CH3) | 16.7 |
| 18 (CH3) | 33.8 |
| 19 (CH3) | 22.6 |
| 20 (CH3) | 17.2 |
