Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C28H40O7/c1-15(18-14-23(3)25(5,35-23)21(30)33-18)26(31)11-12-27(32)17-13-20-28(34-20)9-6-7-19(29)24(28,4)16(17)8-10-22(26,27)2/h6-7,15-18,20-21,30-32H,8-14H2,1-5H3/t15-,16+,17-,18-,20-,21-,22-,23+,24+,25-,26-,27+,28-/m1/s1

InChIKey: InChIKey=IRLUDYODCCYSBX-UWVKXRAUSA-N

Formula: C28H40O7

Molecular Weight: 488.61407

Exact Mass: 488.277404

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Monteagudo, E.S., Burton, G., Gonzalez, C.M., Oberti, J.C., Gros, E.G. Phytochemistry (1988) 27, 3925-8

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) 203.3
2 (CH) 128.8
3 (CH) 144.5
4 (CH2) 32.9
5 (C) 61.5
6 (CH) 64
7 (CH2) 25.6
8 (CH) 35.2
9 (CH) 40.3
10 (C) 48.2
11 (CH2) 18.9
12 (CH2) 21.4
13 (C) 50.6
14 (C) 87.4
15 (CH2) 31.6
16 (CH2) 36
17 (C) 88.6
18 (CH3) 14.4
19 (CH3) 14.1
20 (CH) 41.8
21 (CH3) 9.8
22 (CH) 64
23 (CH2) 31.9
24 (C) 63.9
25 (C) 63.2
26 (CH) 91.5
27 (CH3) 16.5
28 (CH3) 18.8