Spektraris NMR
Tupipregnenolone
Common Name: Tupipregnenolone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)11-19(24)21(13,3)18(15)8-9-20(16,17)2/h4,6,14-15,17-19,23-24H,5,7-11H2,1-3H3/t14-,15-,17-,18-,19+,20+,21-/m0/s1
InChIKey: InChIKey=POQLDVULDKRFNY-ZCRVARCLSA-N
Formula: C21H30O3
Molecular Weight: 330.461891
Exact Mass: 330.219495
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Pan, W.B., Chang, F.R., Wei, L.M., Wu, Y.C. J Nat Prod (2003) 66, 161-8
Species:
Notes: Family : Steroids, Type : Pregnanes; 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 (CH) | 75.1 |
| 2 (CH2) | 40.8 |
| 3 (CH) | 66.5 |
| 4 (CH2) | 41.1 |
| 5 (C) | 140.5 |
| 6 (CH) | 124.3 |
| 7 (CH2) | 31.9 |
| 8 (CH) | 31.5 |
| 9 (CH) | 51.8 |
| 10 (C) | 46 |
| 11 (CH2) | 24.3 |
| 12 (CH2) | 35.8 |
| 13 (C) | 44.7 |
| 14 (CH) | 56.8 |
| 15 (CH2) | 32.5 |
| 16 (CH) | 144.5 |
| 17 (C) | 155.6 |
| 18 (CH3) | 16.2 |
| 19 (CH3) | 13.2 |
| 20 (C) | 196.3 |
| 21 (CH3) | 27 |
