Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C28H38O8/c1-13-14(2)23(31)35-21(13)22-15(3)26(32)10-8-17-16-11-20(30)27(33)9-6-7-19(29)24(27,4)18(16)12-28(34,36-22)25(17,26)5/h6-7,15-18,20-22,30,32-34H,8-12H2,1-5H3/t15-,16+,17+,18+,20-,21?,22+,24+,25+,26-,27+,28+/m1/s1

InChIKey: InChIKey=GWBUBPCRQXECKY-GINIEFLTSA-N

Formula: C28H38O8

Molecular Weight: 502.597593

Exact Mass: 502.256668

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Nicotra, V.E., Ramacciotti, N.S., Gil, R.R., Oberti, J.C., Feresin, G.E., Guerrero, C.A., Baggio, R.F., Garland, M.T., Burton, G. J Nat Prod (2006) 69, 783-9

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) 204.5
2 (CH) 128.3
3 (CH) 141.8
4 (CH2) 35.4
5 (C) 77.2
6 (CH) 73.8
7 (CH2) 33.1
8 (CH) 29.5
9 (CH) 38.1
10 (C) 51.7
11 (CH2) 29.8
12 (C) 102.4
13 (C) 47.8
14 (CH) 46
15 (CH2) 22.7
16 (CH2) 32.5
17 (C) 80.5
18 (CH3) 1.12
19 (CH3) 15.4
20 (CH) 36.3
21 (CH3) 10
22 (CH) 71.4
23 (CH) 85.9
24 (C) 158.7
25 (C) 124.1
26 (C) 175
27 (CH3) 8.3
28 (CH3) 13.4