Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C28H30O10/c1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27/h5,7,10,14-15,17-19,29,34-35H,1,6,8-9,11H2,2-4H3/t14?,15-,17-,18+,19?,23-,24+,25+,26-,27?,28+/m1/s1

InChIKey: InChIKey=VELDODQHYQSJOF-DUYBNZECSA-N

Formula: C28H30O10

Molecular Weight: 526.532877

Exact Mass: 526.183897

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Sunayama, R., Kuroyanagi, M., Umehara, K., Ueno, A. Phytochemistry (1993) 34, 529-33

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) 127.3
3 (CH) 145.7
4 (CH2) 32.7
5 (C) 140
6 (CH) 126
7 (CH) 63.1
8 (CH) 46.3
9 (CH) 28.7
10 (C) 54.1
11 (CH2) 24
12 (CH2) 29.5
13 (C) 82.6
14 (C) 101.8
15 (C) 211.1
16 (CH) 53.7
17 (C) 82.6
18 (C) 172.2
19 (CH3) 26.9
20 (C) 79.8
21 (CH3) 21.4
22 (CH) 76.8
23 (CH2) 31.5
24 (C) 36.5
25 (C) 139.1
26 (C) 163.8
27 (CH2) 133.5
28 (CH3) 15.5