Spektraris NMR
17aH-Trisnorhopanone
Common Name: 17aH-Trisnorhopanone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H44O/c1-23(2)13-7-14-25(4)20(23)12-17-27(6)22(25)9-8-21-24(3)15-11-19(28)18(24)10-16-26(21,27)5/h18,20-22H,7-17H2,1-6H3/t18-,20-,21+,22+,24-,25-,26+,27+/m0/s1
InChIKey: InChIKey=QHZGEIFOKNRJQD-XRKQHCPOSA-N
Formula: C27H44O1
Molecular Weight: 384.638667
Exact Mass: 384.339216
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) | 40.3 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 42 |
| 4 (C) | 33.2 |
| 5 (CH) | 56.2 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 33.9 |
| 8 (C) | 41.9 |
| 9 (CH) | 50.8 |
| 10 (C) | 37.4 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 23.5 |
| 13 (CH) | 38.1 |
| 14 (C) | 40.9 |
| 15 (CH2) | 26.9 |
| 16 (CH2) | 17.5 |
| 17 (CH) | 57.4 |
| 18 (C) | 41.6 |
| 19 (CH2) | 34.6 |
| 20 (CH2) | 35.6 |
| 21 (C) | 221.4 |
| 23 (CH3) | 33.4 |
| 24 (CH3) | 21.5 |
| 25 (CH3) | 16.2 |
| 26 (CH3) | 15.3 |
| 27 (CH3) | 16 |
| 28 (CH3) | 24.4 |
