Spektraris NMR
Pregna-5,20-diene-3beta-yl 3-O-acetyl-beta-D-arabinopyranoside
Common Name: Pregna-5,20-diene-3beta-yl 3-O-acetyl-beta-D-arabinopyranoside
Synonyms: Pregna-5,20-diene-3beta-yl 3-O-acetyl-beta-D-arabinopyranoside
CAS Registry Number:
InChI: InChI=1S/C28H42O6/c1-5-17-7-9-21-20-8-6-18-14-19(10-12-28(18,4)22(20)11-13-27(17,21)3)34-26-24(31)25(33-16(2)29)23(30)15-32-26/h5-6,17,19-26,30-31H,1,7-15H2,2-4H3/t17-,19-,20-,21-,22-,23+,24-,25+,26-,27+,28-/m0/s1
InChIKey: InChIKey=OBQXVTQWJVSZAL-XMEJKLEXSA-N
Formula: C28H42O6
Molecular Weight: 474.630546
Exact Mass: 474.298139
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gutierrez, M., Capson, T.L., Guzman, H.M., Gonzalez, J., Ortega-Barria, E., Quinoa, E., Riguera, R. J Nat Prod (2006) 69, 1379-83
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 (CH2) | 37.3 |
| 2 (CH2) | 29.7 |
| 3 (CH) | 77.8 |
| 4 (CH2) | 38.4 |
| 5 (C) | 140.16 |
| 6 (CH) | 122.2 |
| 7 (CH2) | 31.9 |
| 8 (CH) | 31.9 |
| 9 (CH) | 50.4 |
| 10 (C) | 36.8 |
| 11 (CH2) | 20.6 |
| 12 (CH2) | 37.4 |
| 13 (C) | 43.4 |
| 14 (CH) | 55.9 |
| 15 (CH2) | 24.8 |
| 16 (CH2) | 27.2 |
| 17 (CH) | 55.3 |
| 18 (CH3) | 12.7 |
| 19 (CH3) | 19.4 |
| 20 (CH) | 139.8 |
| 21 (CH2) | 114.5 |
| 1' (CH) | 97.5 |
| 2' (CH) | 67.2 |
| 3' (CH) | 73 |
| 4' (CH) | 68.3 |
| 5' (CH2) | 62.4 |
| 3'a (C) | 170.8 |
| 3'b (CH3) | 21.1 |
