Home Other Building Blocks 17alpha-hydroxy-2-(hydroxymethylene)pregn-4-en-20-yn-3-one

17alpha-hydroxy-2-(hydroxymethylene)pregn-4-en-20-yn-3-one

CAS No.:
2787-02-2
Catalog Number:
AG00C32M
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00C32M
Chemical Name:
17alpha-hydroxy-2-(hydroxymethylene)pregn-4-en-20-yn-3-one
CAS Number:
2787-02-2
MDL Number:
MFCD09840739
IUPAC Name:
(2Z,8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-2-(hydroxymethylidene)-10,13-dimethyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C22H28O3/c1-4-22(25)10-8-18-16-6-5-15-11-19(24)14(13-23)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,23,25H,5-10,12H2,2-3H3/b14-13-/t16-,17+,18+,20+,21+,22+/m1/s1
InChI Key:
FYEOMZSZJFOTGQ-GXWGVVPNSA-N
EC Number:
220-513-5
Properties
Complexity:
738  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
1  
Exact Mass:
340.204g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
340.463g/mol
Monoisotopic Mass:
340.204g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties