CAS 99946-24-4 | 2-Pentalenepentanoicacid, 1,3a,4,5,6,6a-hexahydro-5-hydroxy-6-(3-hydroxy-1-octen-1-yl)- | CAS Number 99946-24-4

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Other Building Blocks > 99946-24-4

99946-24-4 | 2-Pentalenepentanoicacid, 1,3a,4,5,6,6a-hexahydro-5-hydroxy-6-(3-hydroxy-1-octen-1-yl)-

CAS No: 99946-24-4 Catalog No: AG003VLB MDL No:

Product Description

Catalog Number:

AG003VLB

Chemical Name:

2-Pentalenepentanoicacid, 1,3a,4,5,6,6a-hexahydro-5-hydroxy-6-(3-hydroxy-1-octen-1-yl)-

CAS Number:

99946-24-4

Molecular Formula:

C21H34O4

Molecular Weight:

350.4923

IUPAC Name:

5-[5-hydroxy-6-(3-hydroxyoct-1-enyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid

InChI:

InChI=1S/C21H34O4/c1-2-3-4-8-17(22)10-11-18-19-13-15(7-5-6-9-21(24)25)12-16(19)14-20(18)23/h10-12,16-20,22-23H,2-9,13-14H2,1H3,(H,24,25)

InChI Key:

JANVYOZZTKSZGN-UHFFFAOYSA-N

SMILES:

CCCCCC(C=CC1C(O)CC2C1CC(=C2)CCCCC(=O)O)O

Properties

Complexity:

482

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

350.246g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

350.499g/mol

Monoisotopic Mass:

350.246g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4

Literature

Title	Journal
Exploration of omega-side chain addition strategies for the syntheses of isocarbacyclin and 15R-16-(m-tolyl)-17,18,19,20-tetranorisocarbacyclin.	Organic & biomolecular chemistry 20061121
Diastereoselective total synthesis of isocarbacyclin from L-ascorbic acid.	The Journal of organic chemistry 20041112
Age-dependent changes in the regulatory roles of nitric oxide and vasodilator prostanoids on the mechanical activities of isolated rabbit spinal arterioles.	The Japanese journal of physiology 20031001