Spektraris NMR
hydroxyhopanone (22-Hydroxyhopanone)
Common Name: hydroxyhopanone (22-Hydroxyhopanone)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O2/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/h19-23,32H,9-18H2,1-8H3/t19-,20-,21-,22+,23+,27-,28-,29+,30+/m0/s1
InChIKey: InChIKey=NVNUNRUPWXZKAL-YKHKZODKSA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Poehland B.L., Carte B.K., Francis T.A., Hyland L.J., Allaudeen H.S., Troupe N. J Nat Prod (1987) 50, 706
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) | 39.6 |
| 2 (CH2) | 34.2 |
| 3 (C) | 218.1 |
| 4 (C) | 47.3 |
| 5 (CH) | 54.9 |
| 6 (CH2) | 19.8 |
| 7 (CH2) | 32.7 |
| 8 (C) | 41.7 |
| 9 (CH) | 49.6 |
| 10 (C) | 36.8 |
| 11 (CH2) | 21.6 |
| 12 (CH2) | 24.1 |
| 13 (CH) | 50 |
| 14 (C) | 41.9 |
| 15 (CH2) | 34.4 |
| 16 (CH2) | 21.9 |
| 17 (CH) | 54 |
| 18 (C) | 44.1 |
| 19 (CH2) | 41.3 |
| 20 (CH2) | 26.6 |
| 21 (CH) | 51 |
| 22 (C) | 73.9 |
| 23 (CH3) | 26.6 |
| 24 (CH3) | 21.1 |
| 25 (CH3) | 15.7 |
| 26 (CH3) | 16.5 |
| 27 (CH3) | 16.9 |
| 28 (CH3) | 16.2 |
| 29 (CH3) | 28.7 |
| 30 (CH3) | 30.9 |
