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20685-55-6 | Androstane-3,11,17-triol, (3α,5β,11β,17β)-
CAS No: 20685-55-6 Catalog No: AG002IPR MDL No:
Product Description
Catalog Number:
AG002IPR
Chemical Name:
Androstane-3,11,17-triol, (3α,5β,11β,17β)-
CAS Number:
20685-55-6
Molecular Formula:
C19H32O3
Molecular Weight:
308.4556
IUPAC Name:
(3R,5R,8S,9S,10S,11S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11,17-triol
InChI:
InChI=1S/C19H32O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-17,20-22H,3-10H2,1-2H3/t11-,12-,13+,14+,15+,16+,17-,18+,19+/m1/s1
InChI Key:
FNICIUSFFWRLFW-SOLHUYMASA-N
SMILES:
O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2([C@H]1CC[C@@H]2O)C)C
NSC Number:
61690
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
9
Defined Bond Stereocenter Count:
0
Exact Mass:
308.235g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
308.462g/mol
Monoisotopic Mass:
308.235g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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