Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H40O8/c1-14-12-23(36-25(33)15(14)2)28(5)20-7-6-19-17-13-24-30(37-24)22(35-16(3)31)9-8-21(32)27(30,4)18(17)10-11-29(19,20)26(34)38-28/h8-9,14-15,17-20,22-24,26,34H,6-7,10-13H2,1-5H3/t14-,15+,17+,18-,19-,20+,22-,23+,24+,26+,27-,28+,29+,30+/m0/s1

InChIKey: InChIKey=WVYRGPYKNWCODJ-FRTCLKGASA-N

Formula: C30H40O8

Molecular Weight: 528.634946

Exact Mass: 528.272318

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Silva, G.L., Burton, G., Oberti, J.C. J Nat Prod (1999) 62, 949-53

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) 201.2
2 (CH) 133.8
3 (CH) 139.7
4 (CH) 72
5 (C) 61
6 (CH) 60.4
7 (CH2) 31.3
8 (CH) 30.6
9 (CH) 43.9
10 (C) 48.2
11 (CH2) 23.6
12 (CH2) 34.5
13 (C) 57.8
14 (CH) 56.4
15 (CH2) 25.3
16 (CH2) 26.1
17 (CH) 57.2
18 (CH) 101
19 (CH3) 15.9
20 (C) 85.2
21 (CH3) 21.3
22 (CH) 79.4
23 (CH2) 31.4
24 (CH) 31.2
25 (CH) 40.6
26 (C) 175.2
27 (CH3) 14.2
28 (CH3) 21.2
4a (C) 170.1
4b (CH3) 20.8