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4657-58-3 | Cycloartanol
CAS No: 4657-58-3 Catalog No: AG003A6Y MDL No:
Product Description
Catalog Number:
AG003A6Y
Chemical Name:
Cycloartanol
CAS Number:
4657-58-3
IUPAC Name:
7,7,12,16-tetramethyl-15-(6-methylheptan-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
InChI:
InChI=1S/C30H52O/c1-20(2)9-8-10-21(3)22-13-15-28(7)24-12-11-23-26(4,5)25(31)14-16-29(23)19-30(24,29)18-17-27(22,28)6/h20-25,31H,8-19H2,1-7H3
InChI Key:
YABASAWVVRQMEU-UHFFFAOYSA-N
NSC Number:
226173
Properties
Complexity:
709
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.402g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
428.745g/mol
Monoisotopic Mass:
428.402g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
9
Undefined Bond Stereocenter Count:
0
XLogP3:
10.2
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