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20051-76-7

20051-76-7 | 4alpha,5-epoxy-5alpha-androst-2-eno[2,3-d]isoxazol-17beta-ol

CAS No: 20051-76-7 Catalog No: AG00BHC0 MDL No:

Product Description

Catalog Number:
AG00BHC0
Chemical Name:
4alpha,5-epoxy-5alpha-androst-2-eno[2,3-d]isoxazol-17beta-ol
CAS Number:
20051-76-7
IUPAC Name:
(1S,4S,5S,8S,9S,12S,13R,20S)-9,13-dimethyl-18,21-dioxa-17-azahexacyclo[11.8.0.01,20.04,12.05,9.015,19]henicosa-15(19),16-dien-8-ol
InChI:
InChI=1S/C20H27NO3/c1-18-7-6-14-12(13(18)3-4-15(18)22)5-8-20-17(23-20)16-11(10-21-24-16)9-19(14,20)2/h10,12-15,17,22H,3-9H2,1-2H3/t12-,13-,14-,15-,17+,18-,19+,20+/m0/s1
InChI Key:
SFLURVMKFVJRKJ-CXANFOAXSA-N
EC Number:
243-485-6

Properties

Complexity:
583  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
329.199g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
329.44g/mol
Monoisotopic Mass:
329.199g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

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