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14671-62-6 | Androst-5-en-3-ol, formate, (3β)- (9CI)
CAS No: 14671-62-6 Catalog No: AG001E90 MDL No:
Product Description
Catalog Number:
AG001E90
Chemical Name:
Androst-5-en-3-ol, formate, (3β)- (9CI)
CAS Number:
14671-62-6
Molecular Formula:
C20H30O2
Molecular Weight:
302.4510
IUPAC Name:
(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) formate
InChI:
InChI=1S/C20H30O2/c1-19-9-3-4-17(19)16-6-5-14-12-15(22-13-21)7-11-20(14,2)18(16)8-10-19/h5,13,15-18H,3-4,6-12H2,1-2H3
InChI Key:
UCUDKTSGKVWOST-UHFFFAOYSA-N
SMILES:
O=CO[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC2)C)C1)C
NSC Number:
119065
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.225g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.458g/mol
Monoisotopic Mass:
302.225g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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