3α,12α,16α-Trihydroxy-24ξ-ethylcholest-25-ene

3α,12α,16α-Trihydroxy-24ξ-ethylcholest-25-ene

Common Name: 3α,12α,16α-Trihydroxy-24ξ-ethylcholest-25-ene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C29H50O3/c1-7-19(17(2)3)9-8-18(4)27-25(31)15-24-22-11-10-20-14-21(30)12-13-28(20,5)23(22)16-26(32)29(24,27)6/h18-27,30-32H,2,7-16H2,1,3-6H3/t18-,19?,20+,21+,22-,23+,24+,25-,26+,27+,28+,29-/m1/s1

InChIKey: InChIKey=FMNHMKJQPJAHCG-HFJRSTKESA-N

Formula: C29H50O3

Molecular Weight: 446.706593

Exact Mass: 446.375995

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) 31.9
2 (CH2) 28.9
3 (CH) 66.4
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) 36.2
16 (CH) 76.7
17 (CH) 58.7
18 (CH3) 14.3
19 (CH3) 11
20 (CH) 33.4
21 (CH3) 17.9
22 (CH2) 33.3
23 (CH2) 29.9
24 (CH) 49.2
25 (C) 147.6
26 (CH2) 111.6
27 (CH3) 17.8
24a (CH2) 26.6
24b (CH3) 12