Spektraris NMR
22-Hydroxyisohopane
Common Name: 22-Hydroxyisohopane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O/c1-25(2)15-9-16-28(6)22(25)14-19-30(8)24(28)11-10-23-27(5)17-12-20(26(3,4)31)21(27)13-18-29(23,30)7/h20-24,31H,9-19H2,1-8H3/t20-,21+,22+,23-,24-,27+,28+,29-,30-/m1/s1
InChIKey: InChIKey=PNJBOAVCVAVRGR-WQPOQZFBSA-N
Formula: C30H52O1
Molecular Weight: 428.734401
Exact Mass: 428.401816
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ageta, H., Shiojima, K., Suzuki, H., Nakamura, S. Chem Pharm Bull (1993) 41, 1939-43
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) | 40.31 |
| 2 (CH2) | 18.69 |
| 3 (CH2) | 42.1 |
| 4 (C) | 33.25 |
| 5 (CH) | 56.11 |
| 6 (CH2) | 18.69 |
| 7 (CH2) | 33.25 |
| 8 (C) | 41.87 |
| 9 (CH) | 50.42 |
| 10 (C) | 37.39 |
| 11 (CH2) | 20.91 |
| 12 (CH2) | 23.8 |
| 13 (CH) | 48.56 |
| 14 (C) | 41.72 |
| 15 (CH2) | 32.67 |
| 16 (CH2) | 23.21 |
| 17 (CH) | 52.07 |
| 18 (C) | 44.9 |
| 19 (CH2) | 39.5 |
| 20 (CH2) | 24.82 |
| 21 (CH) | 51.05 |
| 22 (C) | 73.62 |
| 23 (CH3) | 33.41 |
| 24 (CH3) | 21.6 |
| 25 (CH3) | 15.88 |
| 26 (CH3) | 16.73 |
| 27 (CH3) | 16.7 |
| 28 (CH3) | 15.37 |
| 29 (CH3) | 29.45 |
| 30 (CH3) | 26.49 |
