Withanolide J

Withanolide J

Common Name: Withanolide J

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C28H38O6/c1-16-15-22(34-23(30)17(16)2)26(5,31)28(33)14-13-27(32)20-10-9-18-7-6-8-21(29)25(18,4)19(20)11-12-24(27,28)3/h6,8-9,19-20,22,31-33H,7,10-15H2,1-5H3/t19-,20+,22+,24-,25-,26-,27+,28+/m0/s1

InChIKey: InChIKey=GQHHHBATDOXAEP-WEJNEFSASA-N

Formula: C28H38O6

Molecular Weight: 470.598783

Exact Mass: 470.266839

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - Abdeljebbar, L.H., Humam, M., Christen, P., Jeannerat, D., Vitorge, B., Amzazi, S., Benjouad, A., Hostettmann, K., Bekkouche, K. Helv Chim Acta (2007) 90, 346-52

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) 204.1
2 (CH) 127.4
3 (CH) 146.8
4 (CH2) 33.3
5 (C) 135.8
6 (CH) 124.8
7 (CH2) 24.8
8 (CH) 35.9
9 (CH) 36.2
10 (C) 51.5
11 (CH2) 22.2
12 (CH2) 27.1
13 (C) 50.6
14 (C) 85.3
15 (CH2) 32.9
16 (CH2) 33.6
17 (C) 87.8
18 (CH3) 18.3
19 (CH3) 18.7
20 (C) 77
21 (CH3) 19.7
22 (CH) 80.1
23 (CH2) 31.6
24 (C) 151.1
25 (C) 120.3
26 (C) 166.4
27 (CH3) 20.2
28 (CH3) 12.1