Spektraris NMR
14a,17b-dihydroxywithanolide
Common Name: 14a,17b-dihydroxywithanolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O8/c1-13-14(2)23(31)36-20(19(13)30)15(3)26(32)11-12-27(33)18-16(8-10-24(26,27)4)25(5)17(29)7-6-9-28(25,34)22-21(18)35-22/h6-7,15-16,18-22,30,32-34H,8-12H2,1-5H3/t15-,16+,18+,19+,20+,21+,22+,24-,25+,26?,27-,28+/m1/s1
InChIKey: InChIKey=GIGKYZWBLHTEDX-AVANTSOTSA-N
Formula: C28H38O8
Molecular Weight: 502.597593
Exact Mass: 502.256668
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Abou-Douh, A.M. Arch Pharm Pharm Med Chem (2002) 6, 267-76
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) | 203.5 |
| 2 (CH) | 128.2 |
| 3 (CH) | 141.2 |
| 4 (CH2) | 36.9 |
| 5 (C) | 73 |
| 6 (CH) | 53.1 |
| 7 (CH) | 53.8 |
| 8 (CH) | 35.8 |
| 9 (CH) | 31.2 |
| 10 (C) | 50.5 |
| 11 (CH2) | 21.9 |
| 12 (CH2) | 28.5 |
| 13 (C) | 51.4 |
| 14 (C) | 84.4 |
| 15 (CH2) | 28.3 |
| 16 (CH2) | 36.4 |
| 17 (C) | 86.5 |
| 18 (CH3) | 19.2 |
| 19 (CH3) | 13.9 |
| 20 (CH) | 43.5 |
| 21 (CH3) | 9.9 |
| 22 (CH) | 81.4 |
| 23 (CH) | 77.6 |
| 24 (C) | 151.4 |
| 25 (C) | 120.2 |
| 26 (C) | 166.1 |
| 27 (CH3) | 12.4 |
| 28 (CH3) | 16.3 |
