Withanolides 1

Withanolides 1

Common Name: Withanolides 1

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H40O8/c1-14-13-22(37-26(34)15(14)2)29(6,35)19-8-7-17-23-18(11-12-27(17,19)4)28(5)20(32)9-10-21(33)30(28)25(38-30)24(23)36-16(3)31/h9-10,17-19,21-25,33,35H,7-8,11-13H2,1-6H3/t17-,18-,19-,21-,22+,23-,24+,25+,27-,28-,29+,30+/m0/s1

InChIKey: InChIKey=SHUUIGOWNXWQBK-RYJNYAFDSA-N

Formula: C30H40O8

Molecular Weight: 528.634946

Exact Mass: 528.272318

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Minguzzi, S., Barata, L.E., Shin, Y.G., Jonas, P.F., Chai, H.B., Park, E.J., Pezzuto, J.M., Cordell, G.A. Phytochemistry (2002) 59, 635-41

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) 201.13
2 (CH) 132.33
3 (CH) 141.57
4 (CH) 69.3
5 (C) 67.02
6 (CH) 62.41
7 (CH) 74.56
8 (CH) 34.06
9 (CH) 43.32
10 (C) 46.87
11 (CH2) 22.12
12 (CH2) 39.47
13 (C) 43.52
14 (CH) 55.52
15 (CH2) 25.55
16 (CH2) 29.69
17 (CH) 53.82
18 (CH3) 13.45
19 (CH3) 17.18
20 (C) 74.96
21 (CH3) 20.8
22 (CH) 80.82
23 (CH2) 31.48
24 (C) 148.82
25 (C) 121.99
26 (C) 165.96
27 (CH3) 12.46
28 (CH3) 20.55
7a (C) 171.25
7b (CH3) 21.52