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24649-37-4 | Estra-1,3,5(10)-trien-17-ol, 3-methoxy-17-(2-propynyl)-, (17β)- (9CI)
CAS No: 24649-37-4 Catalog No: AG002OXR MDL No:
Product Description
Catalog Number:
AG002OXR
Chemical Name:
Estra-1,3,5(10)-trien-17-ol, 3-methoxy-17-(2-propynyl)-, (17β)- (9CI)
CAS Number:
24649-37-4
IUPAC Name:
3-methoxy-13-methyl-17-prop-2-ynyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
InChI:
InChI=1S/C22H28O2/c1-4-11-22(23)13-10-20-19-7-5-15-14-16(24-3)6-8-17(15)18(19)9-12-21(20,22)2/h1,6,8,14,18-20,23H,5,7,9-13H2,2-3H3
InChI Key:
LPLUUJXMZBFFOC-UHFFFAOYSA-N
NSC Number:
98516
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.209g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.464g/mol
Monoisotopic Mass:
324.209g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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