Spektraris NMR
2-methyldiplopterol
Common Name: 2-methyldiplopterol
Synonyms: 2-methyldiplopterol
CAS Registry Number:
InChI: InChI=1S/C31H54O/c1-20-18-26(2,3)23-14-17-31(9)25(29(23,7)19-20)11-10-24-28(6)15-12-21(27(4,5)32)22(28)13-16-30(24,31)8/h20-25,32H,10-19H2,1-9H3/t20?,21-,22-,23-,24+,25+,28-,29-,30+,31+/m0/s1
InChIKey: InChIKey=LVYYDGVGABMKTF-LQARYLMDSA-N
Formula: C31H54O1
Molecular Weight: 442.761018
Exact Mass: 442.417466
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Babadjamian A., Faure R., Laget M., Dumenil G., Padien P. J. Chem Soci Chem Commun (1984) 0, 1657
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Hopanes; 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) | 45.4 |
| 2 (CH) | 24.6 |
| 3 (CH2) | 49.9 |
| 4 (C) | 32.5 |
| 5 (CH) | 51.3 |
| 6 (CH2) | 20 |
| 7 (CH2) | 32.7 |
| 8 (C) | 42.1 |
| 9 (CH) | 50.5 |
| 10 (C) | 38 |
| 11 (CH2) | 22.1 |
| 12 (CH2) | 24.6 |
| 13 (CH) | 49 |
| 14 (C) | 42.2 |
| 15 (CH2) | 34.6 |
| 16 (CH2) | 22.1 |
| 17 (CH) | 54.2 |
| 18 (C) | 44.3 |
| 19 (CH2) | 41.5 |
| 20 (CH2) | 26.6 |
| 21 (CH) | 51.1 |
| 22 (C) | 73.9 |
| 23 (CH3) | 31.1 |
| 24 (CH3) | 21.8 |
| 25 (CH3) | 17 |
| 26 (CH3) | 16.3 |
| 27 (CH3) | 16.3 |
| 28 (CH3) | 23.2 |
| 29 (CH3) | 29 |
| 30 (CH3) | 30.9 |
