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Home Other Building Blocks (5S,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-((R)-6-methylheptan-2-yl)tetradecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one

(5S,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-((R)-6-methylheptan-2-yl)tetradecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one

CAS No.:
566-88-1
Catalog Number:
AG003MBZ
Molecular Formula:
C27H46O
Molecular Weight:
386.6535
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Product Description
Catalog Number:
AG003MBZ
Chemical Name:
(5S,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-((R)-6-methylheptan-2-yl)tetradecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
CAS Number:
566-88-1
Molecular Formula:
C27H46O
Molecular Weight:
386.6535
MDL Number:
MFCD00065901
IUPAC Name:
(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19-,20+,22+,23-,24+,25+,26+,27-/m1/s1
InChI Key:
PESKGJQREUXSRR-UXIWKSIVSA-N
SMILES:
CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CCC(=O)C2)C)C
Properties
Complexity:
579  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
386.355g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.664g/mol
Monoisotopic Mass:
386.355g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.9  
Literature
Title Journal
Synthesis of [1,2,4]-triazolo-annulated 3-aza-A-homocholestanes--a novel class of pentacyclic compounds. Steroids 20120401
Faecal steroid excretion in humans is affected by calcium supplementation and shows gender-specific differences. European journal of nutrition 20090201
The actinobacterial mce4 locus encodes a steroid transporter. The Journal of biological chemistry 20081219
Synthesis of thiazolyl and thieno cholestane derivatives: a novel class of potent antiinflammatory steroids. Die Pharmazie 20050501
Intestinal steroids in rats are influenced by the structural parameters of pectin. The Journal of nutritional biochemistry 20040401
Synthesis and antimicrobial evaluation of some novel cholestane heterocyclic derivatives. Archiv der Pharmazie 20040301
The oxidation of Delta2, Delta2,4 and Delta4,6 steroids with RuO4. Steroids 20040301
Effects of gamma-irradiated fats on plasma lipid concentrations and hepatic cholesterol metabolism in rats. Annals of nutrition & metabolism 20010101
Properties