Spektraris NMR
22,29,30-Trisnorhopane
Common Name: 22,29,30-Trisnorhopane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H46/c1-23(2)14-8-16-25(4)20(23)13-18-27(6)22(25)11-10-21-24(3)15-7-9-19(24)12-17-26(21,27)5/h19-22H,7-18H2,1-6H3/t19-,20+,21-,22-,24+,25+,26-,27-/m1/s1
InChIKey: InChIKey=WPKYQECPNNWDJY-TXOBOIHYSA-N
Formula: C27H46
Molecular Weight: 370.655144
Exact Mass: 370.359951
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Dunlap N.K., Sabol M.R., Bauer P.E., Watt D.S., Reibenspies J.H., Anderson O.P., Seifert W.K., Moldowan J.M. J Org Chem (1985) 50, 1826
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) | 40.4 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 42.1 |
| 4 (C) | 33.3 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 33.3 |
| 8 (C) | 42 |
| 9 (CH) | 51 |
| 10 (C) | 37.4 |
| 11 (CH2) | 21 |
| 12 (CH2) | 24.2 |
| 13 (CH) | 48.3 |
| 14 (C) | 42.2 |
| 15 (CH2) | 27.6 |
| 16 (CH2) | 22.7 |
| 17 (CH) | 50.4 |
| 18 (C) | 43.6 |
| 19 (CH2) | 40.8 |
| 20 (CH2) | 32.7 |
| 21 (CH2) | 20.2 |
| 23 (CH3) | 33.4 |
| 24 (CH3) | 21.6 |
| 25 (CH3) | 16.7 |
| 26 (CH3) | 16.7 |
| 27 (CH3) | 15.9 |
| 28 (CH3) | 14 |
