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18198-85-1 | Pregn-4-ene-3,11-dione, 20-(2-hydroxyethoxy)-12α,20-dimethyl- (8CI)
CAS No: 18198-85-1 Catalog No: AG002390 MDL No:
Product Description
Catalog Number:
AG002390
Chemical Name:
Pregn-4-ene-3,11-dione, 20-(2-hydroxyethoxy)-12α,20-dimethyl- (8CI)
CAS Number:
18198-85-1
Molecular Formula:
C25H38O4
Molecular Weight:
402.5668
IUPAC Name:
17-[2-(2-hydroxyethoxy)propan-2-yl]-10,12,13-trimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
InChI:
InChI=1S/C25H38O4/c1-15-22(28)21-18(7-6-16-14-17(27)10-11-24(16,21)4)19-8-9-20(25(15,19)5)23(2,3)29-13-12-26/h14-15,18-21,26H,6-13H2,1-5H3
InChI Key:
XGGZBVJMRNOSLF-UHFFFAOYSA-N
SMILES:
OCCOC([C@H]1CC[C@@H]2[C@]1(C)[C@@H](C)C(=O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)(C)C
NSC Number:
101244
Properties
Complexity:
737
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.277g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
402.575g/mol
Monoisotopic Mass:
402.277g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
7
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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