3α,12α,16α-Trihydroxycholestane

3α,12α,16α-Trihydroxycholestane

Common Name: 3α,12α,16α-Trihydroxycholestane

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H48O3/c1-16(2)7-6-8-17(3)25-23(29)14-22-20-10-9-18-13-19(28)11-12-26(18,4)21(20)15-24(30)27(22,25)5/h16-25,28-30H,6-15H2,1-5H3/t17-,18+,19+,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1

InChIKey: InChIKey=UYOSSIFSBNNKRC-CYQSMOOESA-N

Formula: C27H48O3

Molecular Weight: 420.66924

Exact Mass: 420.360345

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 : Cholestanes; 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) 28.9
3 (CH) 66.5
4 (CH2) 35.8
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) 45.3
15 (CH2) 36.4
16 (CH) 76.8
17 (CH) 58.9
18 (CH3) 14.3
19 (CH3) 11
20 (CH) 33.9
21 (CH3) 18
22 (CH2) 35.8
23 (CH2) 24.5
24 (CH2) 39.4
25 (CH) 29.7
26 (CH3) 22.5
27 (CH3) 22.8