Spektraris NMR
Hopane-3alpha,22-diol
Common Name: Hopane-3alpha,22-diol
Synonyms: Hopane-3alpha,22-diol
CAS Registry Number:
InChI: InChI=1S/C30H52O2/c1-25(2)21-13-18-30(8)23(28(21,6)16-14-24(25)31)10-9-22-27(5)15-11-19(26(3,4)32)20(27)12-17-29(22,30)7/h19-24,31-32H,9-18H2,1-8H3/t19-,20-,21-,22+,23+,24+,27-,28-,29+,30+/m0/s1
InChIKey: InChIKey=FNUXMEOWJVTJJE-KJRSQBGHSA-N
Formula: C30H52O2
Molecular Weight: 444.733806
Exact Mass: 444.396731
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ruiz, A., Magalhaes, A.F., Faria, A.D., Magalhaes, E.G., Amaral, M.D.E. J Braz Chem Soc (2006) 17, 803-6
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) | 33.2 |
| 2 (CH2) | 25.3 |
| 3 (CH) | 76.2 |
| 4 (C) | 37.5 |
| 5 (CH) | 48.8 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 33.2 |
| 8 (C) | 41.8 |
| 9 (CH) | 50 |
| 10 (C) | 37.2 |
| 11 (CH2) | 20.9 |
| 12 (CH2) | 24.1 |
| 13 (CH) | 49.9 |
| 14 (C) | 41.9 |
| 15 (CH2) | 34.7 |
| 16 (CH2) | 21.9 |
| 17 (CH) | 53.9 |
| 18 (C) | 44.1 |
| 19 (CH2) | 41.3 |
| 20 (CH2) | 26.6 |
| 21 (CH) | 51.1 |
| 22 (C) | 73.9 |
| 23 (CH3) | 28.3 |
| 24 (CH3) | 22.1 |
| 25 (CH3) | 15.7 |
| 26 (CH3) | 17 |
| 27 (CH3) | 17.1 |
| 28 (CH3) | 16.2 |
| 29 (CH3) | 28.7 |
| 30 (CH3) | 30.9 |
