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19043-54-0 | Cholestan-6-one, 5-hydroxy-, (5α)-
CAS No: 19043-54-0 Catalog No: AG002EKM MDL No:
Product Description
Catalog Number:
AG002EKM
Chemical Name:
Cholestan-6-one, 5-hydroxy-, (5α)-
CAS Number:
19043-54-0
Molecular Formula:
C27H46O2
Molecular Weight:
402.6529
IUPAC Name:
5-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one
InChI:
InChI=1S/C27H46O2/c1-18(2)9-8-10-19(3)21-11-12-22-20-17-24(28)27(29)15-7-6-14-26(27,5)23(20)13-16-25(21,22)4/h18-23,29H,6-17H2,1-5H3
InChI Key:
AYXDXVGGAIDTQI-UHFFFAOYSA-N
SMILES:
CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC(=O)[C@@]2([C@]1(C)CCCC2)O)C)C
NSC Number:
134921
Properties
Complexity:
626
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.35g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
402.663g/mol
Monoisotopic Mass:
402.35g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
8
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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