(5α,6α,7α,17Z)-5-Hydroxy-6,7:22,26-diepoxyergosta-2,17,24-triene-1,16,26-trione

(5α,6α,7α,17Z)-5-Hydroxy-6,7:22,26-diepoxyergosta-2,17,24-triene-1,16,26-trione

Common Name: (5α,6α,7α,17Z)-5-Hydroxy-6,7:22,26-diepoxyergosta-2,17,24-triene-1,16,26-trione

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C28H34O6/c1-13-11-19(33-25(31)14(13)2)15(3)22-18(29)12-17-21-16(8-10-26(17,22)4)27(5)20(30)7-6-9-28(27,32)24-23(21)34-24/h6-7,16-17,19,21,23-24,32H,8-12H2,1-5H3/b22-15+/t16-,17-,19+,21+,23-,24-,26-,27-,28-/m0/s1

InChIKey: InChIKey=BDUSDOKACCAVGS-BBZITOHFSA-N

Formula: C28H34O6

Molecular Weight: 466.56702

Exact Mass: 466.235539

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Gil, R.R., Misico, R.I., Sotes, I.R., Oberti, J.C., Veleiro, A.S., Burton, G. J Nat Prod (1997) 60, 568-72

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) 202.7
2 (CH) 129
3 (CH) 139.8
4 (CH2) 36.7
5 (C) 73.2
6 (CH) 56.2
7 (CH) 56.7
8 (CH) 34.6
9 (CH) 35.4
10 (C) 51
11 (CH2) 22.1
12 (CH2) 37.1
13 (C) 45.2
14 (CH) 45.7
15 (CH2) 39.2
16 (C) 204.9
17 (C) 142.1
18 (CH3) 17.2
19 (CH3) 14.7
20 (C) 146.5
21 (CH3) 13.5
22 (CH) 73.8
23 (CH2) 34.5
24 (C) 149
25 (C) 121.9
26 (C) 166.2
27 (CH3) 12.5
28 (CH3) 20.2