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23330-39-4 | 5α-Androst-2-ene-2-carboxaldehyde, 17β-hydroxy-3-piperidino-, acetate (ester) (8CI)
CAS No: 23330-39-4 Catalog No: AG002MVN MDL No:
Product Description
Catalog Number:
AG002MVN
Chemical Name:
5α-Androst-2-ene-2-carboxaldehyde, 17β-hydroxy-3-piperidino-, acetate (ester) (8CI)
CAS Number:
23330-39-4
Molecular Formula:
C27H41NO3
Molecular Weight:
427.6193
IUPAC Name:
(2-formyl-10,13-dimethyl-3-piperidin-1-yl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate
InChI:
InChI=1S/C27H41NO3/c1-18(30)31-25-10-9-22-21-8-7-20-15-24(28-13-5-4-6-14-28)19(17-29)16-27(20,3)23(21)11-12-26(22,25)2/h17,20-23,25H,4-16H2,1-3H3
InChI Key:
SSOHWBOSBIQUSE-UHFFFAOYSA-N
SMILES:
O=CC1=C(CC2[C@@](C1)(C)[C@H]1CC[C@]3([C@H]([C@@H]1CC2)CCC3OC(=O)C)C)N1CCCCC1
NSC Number:
115751
Properties
Complexity:
768
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.309g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
427.629g/mol
Monoisotopic Mass:
427.309g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
7
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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