CAS 33776-88-4 | (5α,17β)-17-[(1-Oxoheptyl)oxy]androstan-3-one | CAS Number 33776-88-4

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Other Building Blocks > 33776-88-4

33776-88-4 | (5α,17β)-17-[(1-Oxoheptyl)oxy]androstan-3-one

CAS No: 33776-88-4 Catalog No: AG003ASM MDL No:

Product Description

Catalog Number:

AG003ASM

Chemical Name:

(5α,17β)-17-[(1-Oxoheptyl)oxy]androstan-3-one

CAS Number:

33776-88-4

Molecular Formula:

C26H42O3

Molecular Weight:

402.6099

IUPAC Name:

[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] heptanoate

InChI:

InChI=1S/C26H42O3/c1-4-5-6-7-8-24(28)29-23-12-11-21-20-10-9-18-17-19(27)13-15-25(18,2)22(20)14-16-26(21,23)3/h18,20-23H,4-17H2,1-3H3/t18-,20-,21-,22-,23-,25-,26-/m0/s1

InChI Key:

DDYHAKNCTGGYOK-LVYWIKMTSA-N

SMILES:

CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CCC(=O)C2

UNII:

UAQ3N36A25

Properties

Complexity:

627

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

402.313g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

402.619g/mol

Monoisotopic Mass:

402.313g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.7

Literature

Title	Journal
Testosterone-induced relaxation of rat aorta is androgen structure specific and involves K+ channel activation.	Journal of applied physiology (Bethesda, Md. : 1985) 20011201