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1236-14-2 | Androsta-5,16-dien-3-ol, acetate, (3β)- (9CI)
CAS No: 1236-14-2 Catalog No: AG000KUF MDL No:
Product Description
Catalog Number:
AG000KUF
Chemical Name:
Androsta-5,16-dien-3-ol, acetate, (3β)- (9CI)
CAS Number:
1236-14-2
Molecular Formula:
C21H30O2
Molecular Weight:
314.4617
IUPAC Name:
(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate
InChI:
InChI=1S/C21H30O2/c1-14(22)23-16-8-12-21(3)15(13-16)6-7-17-18-5-4-10-20(18,2)11-9-19(17)21/h4,6,10,16-19H,5,7-9,11-13H2,1-3H3
InChI Key:
SGEUQNHSMHUUKU-UHFFFAOYSA-N
SMILES:
CC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC=C2)C)C1)C
NSC Number:
131018
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.225g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.469g/mol
Monoisotopic Mass:
314.225g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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