Spektraris NMR
(17R,20S,22R)-5b,6b-Epoxy-4b,16x-dihydroxy-1-oxooxowitha-2,24-dienolide
Common Name: (17R,20S,22R)-5b,6b-Epoxy-4b,16x-dihydroxy-1-oxooxowitha-2,24-dienolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O6/c1-13-10-20(33-25(32)14(13)2)15(3)24-19(29)12-18-16-11-23-28(34-23)22(31)7-6-21(30)27(28,5)17(16)8-9-26(18,24)4/h6-7,15-20,22-24,29,31H,8-12H2,1-5H3/t15-,16-,17+,18+,19+,20-,22+,23-,24+,26+,27+,28-/m1/s1
InChIKey: InChIKey=SRYIGVUIFUEHSZ-LBVAZTCYSA-N
Formula: C28H38O6
Molecular Weight: 470.598783
Exact Mass: 470.266839
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Silva, G.L., Burton, G., Oberti, J.C. J Nat Prod (1999) 62, 949-53
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) | 202.1 |
| 2 (CH) | 132.3 |
| 3 (CH) | 143 |
| 4 (CH) | 69.9 |
| 5 (C) | 63.9 |
| 6 (CH) | 62.4 |
| 7 (CH2) | 31.1 |
| 8 (CH) | 29.2 |
| 9 (CH) | 44 |
| 10 (C) | 47.7 |
| 11 (CH2) | 21.8 |
| 12 (CH2) | 39.4 |
| 13 (C) | 43.9 |
| 14 (CH) | 61.2 |
| 15 (CH2) | 37.6 |
| 16 (CH) | 76.4 |
| 17 (CH) | 53.4 |
| 18 (CH3) | 13 |
| 19 (CH3) | 17.3 |
| 20 (CH) | 37.8 |
| 21 (CH3) | 13.7 |
| 22 (CH) | 78.8 |
| 23 (CH2) | 29.9 |
| 24 (C) | 150.1 |
| 25 (C) | 121.5 |
| 26 (C) | 167.4 |
| 27 (CH3) | 12.8 |
| 28 (CH3) | 20.5 |
