Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C28H40O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,14-18,20-23,31-32H,8-13H2,1-5H3/t14?,15?,16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1

InChIKey: InChIKey=MLMDWCVFKUVZGH-UHXJWCDTSA-N

Formula: C28H40O6

Molecular Weight: 472.614665

Exact Mass: 472.282489

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Misra, L., Lal, P., Sangwan, R.S., Sangwan, N.S., Uniyal, G.C., Tuli, R. Phytochemistry (2005) 66, 2702-7

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) 202
2 (CH) 128.3
3 (CH) 138.5
4 (CH2) 37
5 (C) 72.5
6 (CH) 56.5
7 (CH) 55.5
8 (CH) 35.3
9 (CH) 35.8
10 (C) 50.4
11 (CH2) 21
12 (CH2) 40.9
13 (C) 43.4
14 (CH) 54.9
15 (CH2) 23.5
16 (CH2) 21
17 (CH) 52.3
18 (CH3) 13.5
19 (CH3) 13.9
20 (C) 75.8
21 (CH3) 19.9
22 (CH) 79.7
23 (CH2) 31.6
24 (CH) 31.4
25 (CH) 40.6
26 (C) 176
27 (CH3) 12.9
28 (CH3) 20.5