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89202-93-7 | (8xi,10xi,13xi)-3,20-dioxopregn-4-en-17-yl acetate
CAS No: 89202-93-7 Catalog No: AG00456Q MDL No:
Product Description
Catalog Number:
AG00456Q
Chemical Name:
(8xi,10xi,13xi)-3,20-dioxopregn-4-en-17-yl acetate
CAS Number:
89202-93-7
Molecular Formula:
C23H32O4
Molecular Weight:
372.4978
IUPAC Name:
[(9S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
InChI:
InChI=1S/C23H32O4/c1-14(24)23(27-15(2)25)12-9-20-18-6-5-16-13-17(26)7-10-21(16,3)19(18)8-11-22(20,23)4/h13,18-20H,5-12H2,1-4H3/t18?,19-,20-,21?,22?,23-/m0/s1
InChI Key:
VTHUYJIXSMGYOQ-GRTSCFIKSA-N
SMILES:
O=C1CCC2(C(=C1)CCC1[C@@H]2CCC2([C@H]1CC[C@]2(OC(=O)C)C(=O)C)C)C
Properties
Complexity:
737
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
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:
3
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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