Spektraris NMR
Isohop-22(29)-ene
Common Name: Isohop-22(29)-ene
Synonyms: Isohop-22(29)-ene
CAS Registry Number:
InChI: InChI=1S/C30H50/c1-20(2)21-12-17-27(5)22(21)13-18-29(7)24(27)10-11-25-28(6)16-9-15-26(3,4)23(28)14-19-30(25,29)8/h21-25H,1,9-19H2,2-8H3/t21-,22-,23-,24+,25+,27-,28-,29+,30+/m0/s1
InChIKey: InChIKey=HHXYJYBYNZMZKX-CMCGXILPSA-N
Formula: C30H50
Molecular Weight: 410.719115
Exact Mass: 410.391252
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lopes, D., Villela, C.T., Kaplan, M.A.C., Carauta, J.P.P. Phytochemistry (1993) 34, 279-80
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) | 18.8 |
| 3 (CH2) | 42.2 |
| 4 (C) | 33.3 |
| 5 (CH) | 56.2 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 33.4 |
| 8 (C) | 42.3 |
| 9 (CH) | 50.5 |
| 10 (C) | 37.5 |
| 11 (CH2) | 21 |
| 12 (CH2) | 24.1 |
| 13 (CH) | 48.8 |
| 14 (C) | 42 |
| 15 (CH2) | 32.7 |
| 16 (CH2) | 21 |
| 17 (CH) | 54 |
| 18 (C) | 44.3 |
| 19 (CH2) | 40.3 |
| 20 (CH2) | 27.4 |
| 21 (CH) | 48 |
| 22 (C) | 148.3 |
| 23 (CH3) | 33.5 |
| 24 (CH3) | 21.7 |
| 25 (CH3) | 16 |
| 26 (CH3) | 16.7 |
| 27 (CH3) | 16.9 |
| 28 (CH3) | 15.2 |
| 29 (CH2) | 109.5 |
| 30 (CH3) | 19.7 |
