Spektraris NMR
5,6-Epoxyphysalin B
Common Name: 5,6-Epoxyphysalin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H30O10/c1-22-10-17-24(3)28-18(22)19(30)27(38-28,34-11-14(22)20(31)35-17)13-9-16-26(36-16)7-4-5-15(29)23(26,2)12(13)6-8-25(28,33)21(32)37-24/h4-5,12-14,16-18,33H,6-11H2,1-3H3/t12-,13+,14-,16+,17+,18?,22+,23-,24-,25?,26+,27?,28-/m0/s1
InChIKey: InChIKey=VSLWNSSUMFSGFF-UWHPKIKVSA-N
Formula: C28H30O10
Molecular Weight: 526.532877
Exact Mass: 526.183897
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Choudhary, M.I., Yousaf, S., Ahmed, S., Yasmeen, K. Chem Biodiversity (2005) 2, 1164-73
Species:
Notes: Family : Steroids, Type : Ergostanes, Group : Withanolides; 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 (C) | 205.8 |
| 2 (CH) | 127.7 |
| 3 (CH) | 146.3 |
| 4 (CH2) | 38.4 |
| 5 (C) | 61.7 |
| 6 (CH) | 64.8 |
| 7 (CH2) | 25.6 |
| 8 (CH) | 37.3 |
| 9 (CH) | 34.2 |
| 10 (C) | 50 |
| 11 (CH2) | 23.5 |
| 12 (CH2) | 24.8 |
| 13 (C) | 79.8 |
| 14 (C) | 106.9 |
| 15 (C) | 207.5 |
| 16 (CH) | 56.7 |
| 17 (C) | 81 |
| 18 (C) | 172.1 |
| 19 (CH3) | 23 |
| 20 (C) | 80.9 |
| 21 (CH3) | 23.5 |
| 22 (CH) | 76.8 |
| 23 (CH2) | 32.9 |
| 24 (C) | 31 |
| 25 (CH) | 50.8 |
| 26 (C) | 173 |
| 27 (CH2) | 59.7 |
| 28 (CH3) | 19.5 |
