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2963-69-1 | Androst-5-en-17-one, 3,7,15-trihydroxy-, (3β,7α,15α)-
CAS No: 2963-69-1 Catalog No: AG002YY7 MDL No:
Product Description
Catalog Number:
AG002YY7
Chemical Name:
Androst-5-en-17-one, 3,7,15-trihydroxy-, (3β,7α,15α)-
CAS Number:
2963-69-1
Molecular Formula:
C19H28O4
Molecular Weight:
320.4232
IUPAC Name:
(3S,7S,8R,9S,10R,13S,14S,15S)-3,7,15-trihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
InChI:
InChI=1S/C19H28O4/c1-18-5-3-11(20)7-10(18)8-13(21)16-12(18)4-6-19(2)15(23)9-14(22)17(16)19/h8,11-14,16-17,20-22H,3-7,9H2,1-2H3/t11-,12-,13+,14-,16-,17-,18-,19+/m0/s1
InChI Key:
FTEHGIIZAGEILF-NSSDSGNWSA-N
SMILES:
O[C@H]1CC[C@]2(C(=C[C@H]([C@@H]3[C@@H]2CC[C@]2([C@H]3[C@@H](O)CC2=O)C)O)C1)C
EC Number:
608-385-2
Properties
Complexity:
570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
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:
0
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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