Spektraris NMR
Pneumocysterol
Common Name: Pneumocysterol
Synonyms: Pneumocysterol
CAS Registry Number:
InChI: InChI=1S/C32H54O/c1-10-23(21(2)3)12-11-22(4)24-15-19-32(9)26-13-14-27-29(5,6)28(33)17-18-30(27,7)25(26)16-20-31(24,32)8/h10,21-22,24,27-28,33H,11-20H2,1-9H3/b23-10-/t22-,24-,27+,28+,30-,31-,32+/m1/s1
InChIKey: InChIKey=XCGCVXQNARNGON-RNBJSANHSA-N
Formula: C32H54O1
Molecular Weight: 454.771754
Exact Mass: 454.417466
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sharma, M.C., Ohira, T., Yatagai, M. Phytochemistry (1994) 37, 201-3
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 35.6 |
| 2 (CH2) | 27.9 |
| 3 (CH) | 79 |
| 4 (C) | 38.8 |
| 5 (CH) | 50.4 |
| 6 (CH2) | 19.1 |
| 7 (CH2) | 28.2 |
| 8 (C) | 134.4 |
| 9 (C) | 134.4 |
| 10 (C) | 37 |
| 11 (CH2) | 21 |
| 12 (CH2) | 26.5 |
| 13 (C) | 44.4 |
| 14 (C) | 49.8 |
| 15 (CH2) | 30.9 |
| 16 (CH2) | 30.8 |
| 17 (CH) | 50.4 |
| 18 (CH3) | 15.7 |
| 19 (CH3) | 18.2 |
| 20 (CH) | 36.8 |
| 21 (CH3) | 18.8 |
| 22 (CH2) | 36.3 |
| 23 (CH2) | 27.8 |
| 24 (C) | 145.8 |
| 25 (CH) | 27.9 |
| 26 (CH3) | 21 |
| 27 (CH3) | 21 |
| 28 (CH3) | 15.4 |
| 29 (CH3) | 28.6 |
| 30 (CH3) | 24.2 |
| 24a (CH) | 116.4 |
| 24b (CH3) | 12.7 |
