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141381-65-9 | Androst-5-en-17-one, 3,7,19-trihydroxy-, (3β,7α)- (9CI)
CAS No: 141381-65-9 Catalog No: AG001GBN MDL No:
Product Description
Catalog Number:
AG001GBN
Chemical Name:
Androst-5-en-17-one, 3,7,19-trihydroxy-, (3β,7α)- (9CI)
CAS Number:
141381-65-9
Molecular Formula:
C19H28O4
Molecular Weight:
320.4232
IUPAC Name:
(3S,7S,8R,9S,10S,13S,14S)-3,7-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
InChI:
InChI=1S/C19H28O4/c1-18-6-5-14-17(13(18)2-3-16(18)23)15(22)9-11-8-12(21)4-7-19(11,14)10-20/h9,12-15,17,20-22H,2-8,10H2,1H3/t12-,13-,14-,15+,17-,18-,19+/m0/s1
InChI Key:
YDXNFBPRRZTWGM-FEUUOHNZSA-N
SMILES:
OC[C@]12CC[C@@H](CC1=C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)O)O
Properties
Complexity:
556
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
320.199g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
320.429g/mol
Monoisotopic Mass:
320.199g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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