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21080-62-6

21080-62-6 | Androstan-17-one, 3,7-dihydroxy-, (3α,5α,7α)-

CAS No: 21080-62-6 Catalog No: AG002KZQ MDL No:

Product Description

Catalog Number:
AG002KZQ
Chemical Name:
Androstan-17-one, 3,7-dihydroxy-, (3α,5α,7α)-
CAS Number:
21080-62-6
Molecular Formula:
C19H30O3
Molecular Weight:
306.4397
IUPAC Name:
(8R,9S,10S,13S,14S)-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
InChI:
InChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h11-15,17,20-21H,3-10H2,1-2H3/t11?,12?,13-,14-,15?,17-,18-,19-/m0/s1
InChI Key:
VFPMCLQMAUVEHD-OEPYTSQDSA-N
SMILES:
O[C@@H]1CC[C@]2([C@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)O)C

Properties

Complexity:
489  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
306.219g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
306.446g/mol
Monoisotopic Mass:
306.219g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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