Cas no 111394-04-8 (Cholest-7-ene-3,15-diol,15-methyl-, (3b,5a,14b,15a)- (9CI))
111394-04-8 structure
Product Name:Cholest-7-ene-3,15-diol,15-methyl-, (3b,5a,14b,15a)- (9CI)
CAS No:111394-04-8
MF:C28H48O2
MW:416.679529190063
CID:188058
PubChem ID:196653
Update Time:2025-04-19
Cholest-7-ene-3,15-diol,15-methyl-, (3b,5a,14b,15a)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Cholest-7-ene-3,15-diol,15-methyl-, (3b,5a,14b,15a)- (9CI)
- 15-methylcholest-7-ene-3,15-diol
- (3beta,5alpha,14beta)-15-methylcholest-7-ene-3,15-diol
- 15beta-Methyl-5alpha,14beta-cholest-7-ene-3beta,15alpha-diol
- 111394-04-8
- (3S,5S,9R,10S,13R,14S,17R)-10,13,15-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,9,11,12,14,16,17-dodecahydrocyclopenta[a]phenanthrene-3,15-diol
- DTXSID10912140
-
- Inchi： 1S/C28H48O2/c1-18(2)8-7-9-19(3)24-17-28(6,30)25-22-11-10-20-16-21(29)12-14-26(20,4)23(22)13-15-27(24,25)5/h11,18-21,23-25,29-30H,7-10,12-17H2,1-6H3/t19-,20+,21+,23+,24-,25-,26+,27-,28?/m1/s1
- InChI Key： YEKYBNIATRJFGM-HOFOHDGYSA-N
- SMILES： OC1(C)C[C@H]([C@H](C)CCCC(C)C)[C@@]2(C)CC[C@H]3C(=CC[C@H]4C[C@H](CC[C@]34C)O)[C@H]21
Computed Properties
- Exact Mass: 416.365431
- Monoisotopic Mass: 416.365431
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 30
- Rotatable Bond Count: 5
- Complexity: 668
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 40.5
- XLogP3: 7.1
Experimental Properties
- Density: 1.02
- Boiling Point: 516.5°Cat760mmHg
- Flash Point: 212°C
- Refractive Index: 1.534
Cholest-7-ene-3,15-diol,15-methyl-, (3b,5a,14b,15a)- (9CI) Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cholestane steroids Cholesterols and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cholesterols and derivatives
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