(13alpha,17alpha)-4,4,8-Trimethyl-21,23-epoxy-24-nor-5alpha-chola-1,14,20,22-tetrene-3,7-dione

(13alpha,17alpha)-4,4,8-Trimethyl-21,23-epoxy-24-nor-5alpha-chola-1,14,20,22-tetrene-3,7-dione

Common Name: (13alpha,17alpha)-4,4,8-Trimethyl-21,23-epoxy-24-nor-5alpha-chola-1,14,20,22-tetrene-3,7-dione

Synonyms: (13alpha,17alpha)-4,4,8-Trimethyl-21,23-epoxy-24-nor-5alpha-chola-1,14,20,22-tetrene-3,7-dione

CAS Registry Number:

InChI: InChI=1S/C26H32O3/c1-23(2)20-14-22(28)26(5)18-7-6-17(16-10-13-29-15-16)24(18,3)11-8-19(26)25(20,4)12-9-21(23)27/h7,9-10,12-13,15,17,19-20H,6,8,11,14H2,1-5H3/t17-,19+,20-,24-,25+,26-/m0/s1

InChIKey: InChIKey=KTOHAVPEOUSSID-BXXAXWLSSA-N

Formula: C26H32O3

Molecular Weight: 392.531452

Exact Mass: 392.235145

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Rodriguez, B. Magn Reson Chem (2003) 41, 206-12

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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 (CH) 156.41
2 (CH) 125.96
3 (C) 203.52
4 (C) 44.66
5 (CH) 52.4
6 (CH2) 36.15
7 (C) 209.56
8 (C) 52.48
9 (CH) 44.89
10 (C) 39.64
11 (CH2) 17.22
12 (CH2) 33.28
13 (C) 47.73
14 (C) 152.55
15 (CH) 126.46
16 (CH2) 34.84
17 (CH) 51.67
18 (CH3) 21.65
19 (CH3) 18.44
20 (C) 124.48
21 (CH) 139.78
22 (CH) 111.04
23 (CH) 142.58
28 (CH3) 26.64
29 (CH3) 20.98
30 (CH3) 28.04