4,4,14-Trimethyl-24-oxo-9,19-cyclocholan-3-yl acetate

4,4,14-Trimethyl-24-oxo-9,19-cyclocholan-3-yl acetate

Common Name: 4,4,14-Trimethyl-24-oxo-9,19-cyclocholan-3-yl acetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C29H46O3/c1-19(8-7-17-30)21-11-13-27(6)23-10-9-22-25(3,4)24(32-20(2)31)12-14-28(22)18-29(23,28)16-15-26(21,27)5/h17,19,21-24H,7-16,18H2,1-6H3/t19-,21-,22+,23+,24+,26-,27+,28-,29+/m1/s1

InChIKey: InChIKey=YJLQMFGPTAIORM-LFUUKBCJSA-N

Formula: C29H46O3

Molecular Weight: 442.67483

Exact Mass: 442.344695

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - de Pascual Teresa, J., Urones, J.G., Marcos, I.S., Basabe, P., Sexmero Cuadrado, M.J., Fernandez Moro, R. Phytochemistry (1987) 26, 1767-76

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) 31.68
2 (CH2) 26.84
3 (CH) 80.7
4 (C) 39.51
5 (CH) 41.24
6 (CH2) 20.93
7 (CH2) 28.36
8 (CH) 47.78
9 (C) 20.19
10 (C) 26.13
11 (CH2) 25.82
12 (CH2) 35.53
13 (C) 45.46
14 (C) 48.91
15 (CH2) 32.94
16 (CH2) 26.54
17 (CH) 52.22
18 (CH3) 17.99
19 (CH2) 29.13
20 (CH) 35.73
21 (CH3) 18.01
22 (CH2) 41.17
23 (CH2) 28.11
24 (CH) 182.21
28 (CH3) 19.33
29 (CH3) 15.16
30 (CH3) 25.47
3a (C) 170.9
3b (CH3) 21.31