Spektraris NMR
(22S)-moretan-29-ol
Common Name: (22S)-moretan-29-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H54O2/c1-21(20-34-22(2)33)23-12-17-29(5)24(23)13-18-31(7)26(29)10-11-27-30(6)16-9-15-28(3,4)25(30)14-19-32(27,31)8/h21,23-27H,9-20H2,1-8H3/t21?,23-,24-,25-,26+,27+,29-,30-,31+,32+/m0/s1
InChIKey: InChIKey=QSIMBUYUBYRBSU-MJVAJFPGSA-N
Formula: C32H54O2
Molecular Weight: 470.771159
Exact Mass: 470.412381
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rosa-Putra, S., Nalin, R., Domenach, A.-M., Rohmer, M. Eur J Biochem (2001) 268, 4300-6
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) | 40.36 |
| 2 (CH2) | 18.73 |
| 3 (CH2) | 42.13 |
| 4 (C) | 33.26 |
| 5 (CH) | 56.16 |
| 6 (CH2) | 18.73 |
| 7 (CH2) | 33.32 |
| 8 (C) | 41.94 |
| 9 (CH) | 50.48 |
| 10 (C) | 37.44 |
| 11 (CH2) | 20.94 |
| 12 (CH2) | 48.56 |
| 13 (CH) | 42.69 |
| 14 (C) | 23.71 |
| 15 (CH2) | 32.63 |
| 16 (CH2) | 21.07 |
| 17 (CH) | 52.98 |
| 18 (C) | 44.65 |
| 19 (CH2) | 39.69 |
| 20 (CH2) | 24.5 |
| 21 (CH) | 42.21 |
| 22 (CH) | 29.79 |
| 23 (CH3) | 33.43 |
| 24 (CH3) | 21.61 |
| 25 (CH3) | 15.88 |
| 26 (CH3) | 16.78 |
| 27 (CH3) | 16.73 |
| 28 (CH3) | 15.05 |
| 29 (CH3) | 16.36 |
| 30 (CH2) | 67.85 |
| 30a (C) | 21.96 |
| 30b (CH3) | 171.38 |
