Spektraris NMR
7b,22-Dihydroxyhopane
Common Name: 7b,22-Dihydroxyhopane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O2/c1-25(2)14-9-15-28(6)22-11-10-21-27(5)16-12-19(26(3,4)32)20(27)13-17-29(21,7)30(22,8)24(31)18-23(25)28/h19-24,31-32H,9-18H2,1-8H3/t19-,20-,21+,22+,23-,24-,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=YNIZXMIANPITRJ-NFICLICLSA-N
Formula: C30H52O2
Molecular Weight: 444.733806
Exact Mass: 444.396731
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wilkins A.L., Ronaldson K.J., Jager P.M., Bird P.W. Aust J Chem (1987) 40, 1713
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) | 40.2 |
| 2 (CH2) | 18.6 |
| 3 (CH2) | 41.8 |
| 4 (C) | 33 |
| 5 (CH) | 53.1 |
| 6 (CH2) | 29.6 |
| 7 (CH) | 73.3 |
| 8 (C) | 47.6 |
| 9 (CH) | 50.5 |
| 10 (C) | 37.4 |
| 11 (CH2) | 20.7 |
| 12 (CH2) | 24.1 |
| 13 (CH) | 50 |
| 14 (C) | 43.4 |
| 15 (CH2) | 38.3 |
| 16 (CH2) | 22.2 |
| 17 (CH) | 53.5 |
| 18 (C) | 44.1 |
| 19 (CH2) | 41.4 |
| 20 (CH2) | 26.5 |
| 21 (CH) | 51.5 |
| 22 (C) | 73.8 |
| 23 (CH3) | 33.2 |
| 24 (CH3) | 21.4 |
| 25 (CH3) | 15.5 |
| 26 (CH3) | 11.2 |
| 27 (CH3) | 17.7 |
| 28 (CH3) | 16.2 |
| 29 (CH3) | 28.6 |
| 30 (CH3) | 30.9 |
