CAS 158493-17-5 | (4aR,4bS,6aR,7R,9aS,9bS,10S,11aR)-7-[(1R)-1,5-Dimethylhexyl]hexadecahydro-1,4a,6a,10-tetramethyl-2H-indeno[5,4-f]quinolin-2-one | CAS Number 158493-17-5

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158493-17-5 | (4aR,4bS,6aR,7R,9aS,9bS,10S,11aR)-7-[(1R)-1,5-Dimethylhexyl]hexadecahydro-1,4a,6a,10-tetramethyl-2H-indeno[5,4-f]quinolin-2-one

CAS No: 158493-17-5 Catalog No: AG01ENJN MDL No:

Product Description

Catalog Number:

AG01ENJN

Chemical Name:

(4aR,4bS,6aR,7R,9aS,9bS,10S,11aR)-7-[(1R)-1,5-Dimethylhexyl]hexadecahydro-1,4a,6a,10-tetramethyl-2H-indeno[5,4-f]quinolin-2-one

CAS Number:

158493-17-5

Molecular Formula:

C28H49NO

Molecular Weight:

415.6948

IUPAC Name:

(1R,3aS,3bS,4S,5aR,9aR,9bS,11aR)-4,6,9a,11a-tetramethyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one

InChI:

InChI=1S/C28H49NO/c1-18(2)9-8-10-19(3)21-11-12-22-26-20(4)17-24-28(6,16-14-25(30)29(24)7)23(26)13-15-27(21,22)5/h18-24,26H,8-17H2,1-7H3/t19-,20+,21-,22+,23+,24-,26+,27-,28-/m1/s1

InChI Key:

XUTZDXHKQDPUMA-MVJJLJOTSA-N

SMILES:

CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2[C@@H](C)C[C@@H]2[C@]1(C)CCC(=O)N2C)C)C

UNII:

JWDKP12EUC

Properties

Complexity:

643

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

415.381g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

415.706g/mol

Monoisotopic Mass:

415.381g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

8.6

Literature

Title	Journal
Comparison of gene expression in LNCaP prostate cancer cells after treatment with bicalutamide or 5-alpha-reductase inhibitors.	Urologia internationalis 20100101
Effects of dutasteride on prostate carcinoma primary cultures: a comparative study with finasteride and MK386.	The Journal of urology 20080701
Different patterns of 5alpha-reductase expression, cellular distribution, and testosterone metabolism in human follicular dermal papilla cells.	Biochemical and biophysical research communications 20080418
Inhibition of 5alpha-reductase activity in SZ95 sebocytes and HaCaT keratinocytes in vitro.	Hormone and metabolic research = Hormon- und Stoffwechselforschung = Hormones et metabolisme 20070201
Effects of 5 alpha reductase inhibitors on androgen-dependent human prostatic carcinoma cells.	Journal of cancer research and clinical oncology 20050401
Characterization of the 5alpha-reductase-3alpha-hydroxysteroid dehydrogenase complex in the human brain.	The Journal of clinical endocrinology and metabolism 20010301