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18000-76-5 | Androst-5-en-17-one, 3-(methoxymethoxy)-, (3β)-
CAS No: 18000-76-5 Catalog No: AG0021L9 MDL No:
Product Description
Catalog Number:
AG0021L9
Chemical Name:
Androst-5-en-17-one, 3-(methoxymethoxy)-, (3β)-
CAS Number:
18000-76-5
Molecular Formula:
C21H32O3
Molecular Weight:
332.4770
IUPAC Name:
(3S,8R,9S,10R,13S,14S)-3-(methoxymethoxy)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
InChI:
InChI=1S/C21H32O3/c1-20-10-8-15(24-13-23-3)12-14(20)4-5-16-17-6-7-19(22)21(17,2)11-9-18(16)20/h4,15-18H,5-13H2,1-3H3/t15-,16-,17-,18-,20-,21-/m0/s1
InChI Key:
JQWNLAOFJMUGBT-ZKHIMWLXSA-N
SMILES:
COCO[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC2=O)C)C1)C
EC Number:
241-914-1
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
332.235g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.484g/mol
Monoisotopic Mass:
332.235g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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