CAS 82598-17-2 | 3,17-dihydroxyandrostan-11-one | CAS Number 82598-17-2

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82598-17-2 | 3,17-dihydroxyandrostan-11-one

CAS No: 82598-17-2 Catalog No: AG005CQE MDL No:

Product Description

Catalog Number:

AG005CQE

Chemical Name:

3,17-dihydroxyandrostan-11-one

CAS Number:

82598-17-2

Molecular Formula:

C19H30O3

Molecular Weight:

306.4397

IUPAC Name:

7-(2-hexyl-5-hydroxycyclopentyl)heptanoic acid

InChI:

InChI=1S/C18H34O3/c1-2-3-4-7-10-15-13-14-17(19)16(15)11-8-5-6-9-12-18(20)21/h15-17,19H,2-14H2,1H3,(H,20,21)

InChI Key:

NMAOJFAMEOVURT-UHFFFAOYSA-N

SMILES:

OC1CC[C@]2(C(C1)CC[C@@H]1[C@@H]2C(=O)C[C@]2([C@H]1CCC2O)C)C

EC Number:

260-341-8

Properties

Complexity:

278

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

298.251g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

298.467g/mol

Monoisotopic Mass:

298.251g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.7

Literature

Title	Journal
Amyloid precursor protein promotes endoplasmic reticulum stress-induced cell death via C/EBP homologous protein-mediated pathway.	Journal of neurochemistry 20090601
RNA interference silencing of DRAL affects processing of amyloid precursor protein.	Neuroscience letters 20080718
Effects of anoxia and hypoxia on amyloid precursor protein processing in cerebral microvascular smooth muscle cells.	Journal of neuropathology and experimental neurology 20060601
A three-component coupling approach to cyclopentanoids.	The Journal of organic chemistry 20011116