(3S,4R,22R)-Cholest-7,24-diene-3,4,22-triol

(3S,4R,22R)-Cholest-7,24-diene-3,4,22-triol

Common Name: (3S,4R,22R)-Cholest-7,24-diene-3,4,22-triol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H44O3/c1-16(2)6-11-23(28)17(3)19-9-10-20-18-7-8-22-25(30)24(29)13-15-27(22,5)21(18)12-14-26(19,20)4/h6-7,17,19-25,28-30H,8-15H2,1-5H3/t17-,19+,20-,21-,22-,23+,24-,25+,26+,27+/m0/s1

InChIKey: InChIKey=JGBRCVYPUYKCSI-SVIVQIBPSA-N

Formula: C27H44O3

Molecular Weight: 416.637477

Exact Mass: 416.329045

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Rivero-Cruz, J.F., Chai, H.B., Kardono, L.B., Setyowati, F.M., Afriatini, J.J., Riswan, S., Farnsworth, N.R., Cordell, G.A., Pezzuto, J.M., Swanson, S.M., Kinghorn, A.D. J Nat Prod (2004) 67, 343-7

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) 37.3
2 (CH2) 25.9
3 (CH) 73.2
4 (CH) 72.6
5 (CH) 44.3
6 (CH2) 27.2
7 (CH) 121.3
8 (C) 138.9
9 (CH) 50.6
10 (C) 34.2
11 (CH2) 21
12 (CH2) 37.2
13 (C) 43.3
14 (CH) 54.6
15 (CH2) 25.4
16 (CH2) 28.9
17 (CH) 53.2
18 (CH3) 11.8
19 (CH3) 15.2
20 (CH) 41.5
21 (CH3) 12.7
22 (CH) 73.1
23 (CH2) 27.1
24 (CH) 118
25 (C) 135.3
26 (CH3) 25.9
27 (CH3) 18