Spektraris NMR
Pregna-5,20-diene-3beta-yl beta-D-xylopyranoside
Common Name: Pregna-5,20-diene-3beta-yl beta-D-xylopyranoside
Synonyms: Pregna-5,20-diene-3beta-yl beta-D-xylopyranoside
CAS Registry Number:
InChI: InChI=1S/C26H40O5/c1-4-15-6-8-19-18-7-5-16-13-17(31-24-23(29)22(28)21(27)14-30-24)9-11-26(16,3)20(18)10-12-25(15,19)2/h4-5,15,17-24,27-29H,1,6-14H2,2-3H3/t15-,17-,18-,19-,20-,21+,22-,23+,24-,25+,26-/m0/s1
InChIKey: InChIKey=CJBWTAWVUJOREK-AVTIRIIJSA-N
Formula: C26H40O5
Molecular Weight: 432.593788
Exact Mass: 432.287574
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Shi, Y.P., Rodriguez, A.D., Barnes, C.L., Sanchez, J.A., Raptis, R.G., Baran, P. J Nat Prod (2002) 65, 1232-41
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) | 36.8 |
| 2 (CH2) | 29.4 |
| 3 (CH) | 77.2 |
| 4 (CH2) | 38.3 |
| 5 (C) | 140.4 |
| 6 (CH) | 121.1 |
| 7 (CH2) | 31.4 |
| 8 (CH) | 31.5 |
| 9 (CH) | 49.8 |
| 10 (C) | 36.3 |
| 11 (CH2) | 20.2 |
| 12 (CH2) | 36.8 |
| 13 (C) | 42.9 |
| 14 (CH) | 55.2 |
| 15 (CH2) | 24.4 |
| 16 (CH2) | 26.5 |
| 17 (CH) | 54.6 |
| 18 (CH3) | 12.6 |
| 19 (CH3) | 19.1 |
| 20 (CH) | 139.4 |
| 21 (CH2) | 114.9 |
| 1' (CH) | 101.8 |
| 2' (CH) | 73.2 |
| 3' (CH) | 76.6 |
| 4' (CH) | 69.5 |
| 5' (CH2) | 65.5 |
