Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C28H40O4/c1-16-14-24(32-26(31)17(16)2)20(15-29)22-11-10-21-19-9-8-18-6-5-7-25(30)28(18,4)23(19)12-13-27(21,22)3/h8,19-24,29H,5-7,9-15H2,1-4H3/t19-,20-,21-,22+,23-,24+,27-,28-/m0/s1

InChIKey: InChIKey=ZMKJWYUWKYHKIN-YGYCQHNTSA-N

Formula: C28H40O4

Molecular Weight: 440.615855

Exact Mass: 440.29266

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Oshima, Y., Bagchi, A., Hikino, H., Sinha, S.C., Sahai, M., Ray, A.B. Tetrahedron Lett (1987) 28, 2025-8

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) 214.7
2 (CH2) 38.4
3 (CH2) 27.4
4 (CH2) 31.2
5 (C) 141.4
6 (CH) 121.8
7 (CH2) 32.2
8 (CH) 32
9 (CH) 45.5
10 (C) 53.9
11 (CH2) 22.7
12 (CH2) 39.1
13 (C) 42.5
14 (CH) 56.3
15 (CH2) 24.3
16 (CH2) 26.3
17 (CH) 46.6
18 (CH3) 12.6
19 (CH3) 19.4
20 (CH) 42.6
21 (CH2) 60
22 (CH) 78.2
23 (CH2) 31
24 (C) 150.3
25 (C) 122.8
26 (C) 166.8
27 (CH3) 12.3
28 (CH3) 20.6