Spektraris NMR
Olibanumol I
Common Name: Olibanumol I
Synonyms: Olibanumol I
CAS Registry Number:
InChI: InChI=1S/C29H48O2/c1-18(30)19-10-13-26(4)16-17-28(6)20(24(19)26)8-9-22-27(5)14-12-23(31)25(2,3)21(27)11-15-29(22,28)7/h19-24,31H,8-17H2,1-7H3/t19-,20+,21-,22+,23+,24+,26+,27-,28+,29+/m0/s1
InChIKey: InChIKey=RCXANGLYPFOYKX-HMVHIDSYSA-N
Formula: C29H48O2
Molecular Weight: 428.691307
Exact Mass: 428.365431
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ali, M.S., Ahmed, S., Ibrahim, S.A., Tareen, R.B. Chem Biodivers (2005) 2, 910-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 33.3 |
| 2 (CH2) | 27.5 |
| 3 (CH) | 76.2 |
| 4 (C) | 37.6 |
| 5 (CH) | 52.8 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 35 |
| 8 (C) | 41 |
| 9 (CH) | 49.8 |
| 10 (C) | 37.4 |
| 11 (CH2) | 21.1 |
| 12 (CH2) | 27.3 |
| 13 (CH) | 37 |
| 14 (C) | 42.6 |
| 15 (CH2) | 27.2 |
| 16 (CH2) | 34.1 |
| 17 (C) | 43.1 |
| 18 (CH) | 49 |
| 19 (CH) | 50.1 |
| 20 (C) | 213.2 |
| 21 (CH2) | 28.3 |
| 22 (CH2) | 39.9 |
| 23 (CH3) | 29.1 |
| 24 (CH3) | 20.2 |
| 25 (CH3) | 20.2 |
| 26 (CH3) | 15.9 |
| 27 (CH3) | 16 |
| 28 (CH3) | 18 |
| 29 (CH3) | 28.3 |
