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165281-43-6 | Androst-5-en-17-one, 3,7-bis(acetyloxy)-9-hydroxy-, (3β,7α)- (9CI)
CAS No: 165281-43-6 Catalog No: AG001W1C MDL No:
Product Description
Catalog Number:
AG001W1C
Chemical Name:
Androst-5-en-17-one, 3,7-bis(acetyloxy)-9-hydroxy-, (3β,7α)- (9CI)
CAS Number:
165281-43-6
Molecular Formula:
C23H32O6
Molecular Weight:
404.4966
IUPAC Name:
[(3S,7R,8R,9R,10S,13S,14S)-7-acetyloxy-9-hydroxy-10,13-dimethyl-17-oxo-2,3,4,7,8,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
InChI:
InChI=1S/C23H32O6/c1-13(24)28-16-7-8-22(4)15(11-16)12-18(29-14(2)25)20-17-5-6-19(26)21(17,3)9-10-23(20,22)27/h12,16-18,20,27H,5-11H2,1-4H3/t16-,17-,18+,20+,21-,22-,23+/m0/s1
InChI Key:
XVDBLRUKXITLSQ-RJKHXGPOSA-N
SMILES:
CC(=O)O[C@@H]1C=C2C[C@H](CC[C@@]2([C@@]2([C@@H]1[C@@H]1CCC(=O)[C@@]1(C)CC2)O)C)OC(=O)C
Properties
Complexity:
786
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
404.22g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
404.503g/mol
Monoisotopic Mass:
404.22g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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