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95043-81-5 | Androst-16-en-3-ol, 17-iodo-, (3b,5a)-
CAS No: 95043-81-5 Catalog No: AG00ILVZ MDL No:
Product Description
Catalog Number:
AG00ILVZ
Chemical Name:
Androst-16-en-3-ol, 17-iodo-, (3b,5a)-
CAS Number:
95043-81-5
Molecular Formula:
C19H29IO
Molecular Weight:
400.3374
IUPAC Name:
(3S,5S,8R,9S,10S,13S,14S)-17-iodo-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
InChI:
InChI=1S/C19H29IO/c1-18-9-7-13(21)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h6,12-16,21H,3-5,7-11H2,1-2H3/t12-,13-,14-,15-,16-,18-,19-/m0/s1
InChI Key:
BLIQDKQGZDUBOT-LUJOEAJASA-N
SMILES:
O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC=C2I)C)C
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
400.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
400.344g/mol
Monoisotopic Mass:
400.126g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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