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80724-95-4 | 7-methylchenooxazoline
CAS No: 80724-95-4 Catalog No: AG00GJCI MDL No:
Product Description
Catalog Number:
AG00GJCI
Chemical Name:
7-methylchenooxazoline
CAS Number:
80724-95-4
IUPAC Name:
(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)butan-2-yl]-7,10,13-trimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,7-diol
InChI:
InChI=1S/C29H49NO3/c1-18(7-10-24-30-26(2,3)17-33-24)21-8-9-22-25-23(12-14-28(21,22)5)27(4)13-11-20(31)15-19(27)16-29(25,6)32/h18-23,25,31-32H,7-17H2,1-6H3/t18-,19+,20+,21-,22+,23+,25+,27+,28-,29?/m1/s1
InChI Key:
XNTIXMMRJWZGFK-UOGVPDCQSA-N
Properties
Complexity:
794
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
9
Defined Bond Stereocenter Count:
0
Exact Mass:
459.371g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
459.715g/mol
Monoisotopic Mass:
459.371g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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