Spektraris NMR
Boehmerone
Common Name: Boehmerone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O/c1-19(2)20-9-10-21-22-11-12-24-28(6)15-14-25(31)26(3,4)23(28)13-16-30(24,8)29(22,7)18-17-27(20,21)5/h19-20,23-24H,9-18H2,1-8H3/t20-,23-,24+,27-,28-,29-,30-/m0/s1
InChIKey: InChIKey=XAKUWRNEOJQHNR-GYFFJUCWSA-N
Formula: C30H48O1
Molecular Weight: 424.702638
Exact Mass: 424.370516
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Oyarzun M.L., Garbarino J.A., Gambaro V., Guilhem J., Pascard C. Phytochemistry (1987) 26, 221
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Neohopanes; 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) | 31.7 |
| 2 (CH2) | 33.8 |
| 3 (C) | 220 |
| 4 (C) | 46.9 |
| 5 (CH) | 44.1 |
| 6 (CH2) | 22.3 |
| 7 (CH2) | 30.4 |
| 8 (C) | 41.6 |
| 9 (CH) | 47.7 |
| 10 (C) | 36.4 |
| 11 (CH2) | 20.4 |
| 12 (CH2) | 26.2 |
| 13 (C) | 131.3 |
| 14 (C) | 42.3 |
| 15 (CH2) | 26.4 |
| 16 (CH2) | 34.4 |
| 17 (C) | 42.8 |
| 18 (C) | 141.8 |
| 19 (CH2) | 27.5 |
| 20 (CH2) | 37.7 |
| 21 (CH) | 59.1 |
| 22 (CH) | 29.7 |
| 23 (CH3) | 29.3 |
| 24 (CH3) | 19.7 |
| 25 (CH3) | 17.9 |
| 26 (CH3) | 23.5 |
| 27 (CH3) | 26.7 |
| 28 (CH3) | 25.3 |
| 29 (CH3) | 23 |
| 30 (CH3) | 23 |
