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1778-93-4

1778-93-4 | Androsta-3,5-diene-3,17-diol, 3,17-diacetate, (17β)-

CAS No: 1778-93-4 Catalog No: AG0025KH MDL No:

Product Description

Catalog Number:
AG0025KH
Chemical Name:
Androsta-3,5-diene-3,17-diol, 3,17-diacetate, (17β)-
CAS Number:
1778-93-4
Molecular Formula:
C23H32O4
Molecular Weight:
372.4978
IUPAC Name:
[(8R,9S,10R,13S,14S,17S)-3-acetyloxy-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
InChI:
InChI=1S/C23H32O4/c1-14(24)26-17-9-11-22(3)16(13-17)5-6-18-19-7-8-21(27-15(2)25)23(19,4)12-10-20(18)22/h5,13,18-21H,6-12H2,1-4H3/t18-,19-,20-,21-,22-,23-/m0/s1
InChI Key:
WDEWKQVZHVQXLN-LLINQDLYSA-N
SMILES:
CC(=O)OC1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3CC[C@@H]1OC(=O)C)C

Properties

Complexity:
720  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
372.23g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.505g/mol
Monoisotopic Mass:
372.23g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  

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