3α,12α,16α-Trihydroxy-24R-methylcholest-22E-ene

3α,12α,16α-Trihydroxy-24R-methylcholest-22E-ene

Common Name: 3α,12α,16α-Trihydroxy-24R-methylcholest-22E-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/h7-8,16-26,29-31H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20-,21+,22-,23-,24+,25-,26-,27-,28+/m0/s1

InChIKey: InChIKey=NJXFGFILMQEWFG-UYCJIUOMSA-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 : 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) 32
2 (CH2) 29
3 (CH) 66.5
4 (CH2) 35.9
5 (CH) 39.1
6 (CH2) 28.4
7 (CH2) 31.6
8 (CH) 35.1
9 (CH) 47.5
10 (C) 35.8
11 (CH2) 28
12 (CH) 72.8
13 (C) 48.3
14 (CH) 45.6
15 (CH2) 35.9
16 (CH) 76.8
17 (CH) 58.3
18 (CH3) 14.4
19 (CH3) 11.1
20 (CH) 39.1
21 (CH3) 19.8
22 (CH) 135.3
23 (CH) 134.5
24 (CH) 42.7
25 (CH) 33
26 (CH3) 20
27 (CH3) 19.7
24a (CH3) 17.4