3α,12α,16α-Trihydroxy-24-methylcholest-24(28)-ene

3α,12α,16α-Trihydroxy-24-methylcholest-24(28)-ene

Common Name: 3α,12α,16α-Trihydroxy-24-methylcholest-24(28)-ene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C28H48O3/c1-16(2)17(3)7-8-18(4)26-24(30)14-23-21-10-9-19-13-20(29)11-12-27(19,5)22(21)15-25(31)28(23,26)6/h16,18-26,29-31H,3,7-15H2,1-2,4-6H3/t18-,19+,20+,21-,22+,23+,24-,25+,26+,27+,28-/m1/s1

InChIKey: InChIKey=TXNNVGFGCZGHTJ-UNNALISUSA-N

Formula: C28H48O3

Molecular Weight: 432.679976

Exact Mass: 432.360345

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Holland, I.P., McCluskey, A., Sakoff, J.A., Gilbert, J., Chau, N., Robinson, P.J., Motti, C.A., Wright, A.D., van Altena, I.A. J Nat Prod (2009) 72, 102-6

Species:

Notes: Family : Steroids, Type : Campestanes; 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) 31.9
2 (CH2) 29
3 (CH) 66.5
4 (CH2) 35.9
5 (CH) 39.1
6 (CH2) 28.4
7 (CH2) 31.7
8 (CH) 35
9 (CH) 47.2
10 (C) 35.7
11 (CH2) 28
12 (CH) 72.8
13 (C) 48.4
14 (CH) 45.5
15 (CH2) 36.5
16 (CH) 77.2
17 (CH) 58.5
18 (CH3) 14.3
19 (CH3) 11.1
20 (CH) 33.8
21 (CH3) 18
22 (CH2) 34.1
23 (CH2) 31.9
24 (C) 156
25 (CH) 33.7
26 (CH3) 22
27 (CH3) 21.8
24a (CH2) 106.3