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-FKVFAKLNSA-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) 201.3
2 (CH) 133.8
3 (CH) 139.9
4 (CH) 72.1
5 (C) 60.8
6 (CH) 60.3
7 (CH2) 31.3
8 (CH) 30.1
9 (CH) 44.4
10 (C) 48.2
11 (CH2) 23.6
12 (CH2) 36.8
13 (C) 58.5
14 (CH) 54.6
15 (CH2) 25.2
16 (CH2) 27.3
17 (CH) 56.8
18 (CH) 103.4
19 (CH3) 15.8
20 (C) 85.1
21 (CH3) 23.5
22 (CH) 80
23 (CH2) 32.1
24 (CH) 31.3
25 (CH) 40.6
26 (C) 175.5
27 (CH3) 14.2
28 (CH3) 21.2
4a (C) 170.1
4b (CH3) 20.8