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14474-06-7

14474-06-7 | Androst-5-ene-3,16,17-triol, (3β,16β,17β)-

CAS No: 14474-06-7 Catalog No: AG001K2N MDL No:

Product Description

Catalog Number:
AG001K2N
Chemical Name:
Androst-5-ene-3,16,17-triol, (3β,16β,17β)-
CAS Number:
14474-06-7
Molecular Formula:
C19H30O3
Molecular Weight:
306.4397
IUPAC Name:
(8R,9S,10R,13S,14S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16,17-triol
InChI:
InChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-17,20-22H,4-10H2,1-2H3/t12?,13-,14+,15+,16?,17?,18+,19+/m1/s1
InChI Key:
GUGSXATYPSGVAY-DPKZMNKYSA-N
SMILES:
O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3C[C@@H]([C@@H]2O)O)C)C1)C

Properties

Complexity:
501  
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:
3  
Isotope Atom Count:
0
Molecular Weight:
306.446g/mol
Monoisotopic Mass:
306.219g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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