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)
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 |