(2β,3α,5β)-6-Oxo-2,5-epoxystigmast-7-en-3-yl acetate

(2β,3α,5β)-6-Oxo-2,5-epoxystigmast-7-en-3-yl acetate

Common Name: (2β,3α,5β)-6-Oxo-2,5-epoxystigmast-7-en-3-yl acetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C31H48O4/c1-8-21(18(2)3)10-9-19(4)23-11-12-24-22-15-28(33)31-17-26(34-20(5)32)27(35-31)16-30(31,7)25(22)13-14-29(23,24)6/h15,18-19,21,23-27H,8-14,16-17H2,1-7H3/t19-,21-,23-,24+,25+,26+,27-,29-,30-,31+/m1/s1

InChIKey: InChIKey=SDVBLQFMUCWAFR-WHDYPKBZSA-N

Formula: C31H48O4

Molecular Weight: 484.711589

Exact Mass: 484.35526

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Kovganko, N.V., Sokolov, S.N. Chem Nat Compd (2001) 37, 162-6

Species:

Notes: Family : Steroids, Type : Stigmastanes; 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 (CH2) 33.7
2 (CH) 82.3
3 (CH) 76.9
4 (CH2) 39
5 (C) 87.9
6 (C) 192
7 (CH) 121.9
8 (C) 167
9 (CH) 44.7
10 (C) 47.8
11 (CH2) 21.9
12 (CH2) 38.8
13 (C) 44.9
14 (CH) 56
15 (CH2) 22.5
16 (CH2) 27.7
17 (CH) 56
18 (CH3) 12.5
19 (CH3) 15.9
20 (CH) 36.3
21 (CH3) 18.9
22 (CH2) 33.7
23 (CH2) 26.2
24 (CH) 45.8
25 (CH) 29.2
26 (CH3) 19
27 (CH3) 19.8
24a (CH2) 23.1
24b (CH3) 12
3a (C) 171.1
3b (CH3) 20.2