Structure of (1R,2R,3aS,9aS)-2,3,3a,4,9,9a-Hexahydro-1-[(3S)-3-hydroxyoctyl]-1H-benz[f]indene-2,5-diol CAS 101692-02-8

(1R,2R,3aS,9aS)-2,3,3a,4,9,9a-Hexahydro-1-[(3S)-3-hydroxyoctyl]-1H-benz[f]indene-2,5-diol CAS 101692-02-8

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Identification
Properties
Safety Data
Specifications & Other Information
Links

Identification

CAS Number

101692-02-8

Name

(1R,2R,3aS,9aS)-2,3,3a,4,9,9a-Hexahydro-1-[(3S)-3-hydroxyoctyl]-1H-benz[f]indene-2,5-diol

Synonyms

(1R,2R,3aS,9aS)-1-[(3S)-3-Hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphtalène-2,5-diol [French] [ACD/IUPAC Name]
(1R,2R,3aS,9aS)-1-[(3S)-3-Hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene-2,5-diol [ACD/IUPAC Name]
(1R,2R,3aS,9aS)-1-[(3S)-3-Hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalin-2,5-diol [German] [ACD/IUPAC Name]
1H-Benz[f]indene-2,5-diol, 2,3,3a,4,9,9a-hexahydro-1-[(3S)-3-hydroxyoctyl]-, (1R,2R,3aS,9aS)- [ACD/Index Name]
(1R,2R,3aS,9aS)-1-((S)-3-hydroxyoctyl)-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene-2,5-diol
101692-02-8 [RN]

Molecular Structure

Structure of (1R,2R,3aS,9aS)-2,3,3a,4,9,9a-Hexahydro-1-[(3S)-3-hydroxyoctyl]-1H-benz[f]indene-2,5-diol CAS 101692-02-8

Structure of (1R,2R,3aS,9aS)-2,3,3a,4,9,9a-Hexahydro-1-[(3S)-3-hydroxyoctyl]-1H-benz[f]indene-2,5-diol CAS 101692-02-8

SMILES

Oc1cccc2c1C[[email protected]]3C[C@@H](O)[C@@H]([[email protected]]3C2)CC[C@@H](O)CCCCC

StdInChI

InChI=1S/C21H32O3/c1-2-3-4-7-16(22)9-10-17-18-11-14-6-5-8-20(23)19(14)12-15(18)13-21(17)24/h5-6,8,15-18,21-24H,2-4,7,9-13H2,1H3/t15-,16-,17+,18-,21+/m0/s1

StdInChIKey

UTGPMEMKMRVGNE-HUTLKBDOSA-N

Molecular Formula

C21H32O3

Molecular Weight

332.477

Properties

Appearance

White to off white powder

Safety Data

WGK Germany

3

Specifications and Other Information of Our (1R,2R,3aS,9aS)-2,3,3a,4,9,9a-Hexahydro-1-[(3S)-3-hydroxyoctyl]-1H-benz[f]indene-2,5-diol CAS 101692-02-8

Standard

Enterprise standard

Identification Methods

HPLC

Purity

99%min

Specific Optical Rotation

+45.0-+55.0°

Enantiomer

≤0.1%

Single max Impurity

≤0.3%

Package

According to customer requirements to packaging

Storage

Under the room temperature and away from light

Application

Used as the pharmaceutical intermediates of the Treprostinil (Quqianlianil sodium).

Links

This product is developed by our sub R&D company Caming Pharmaceutical Ltd, and please click the link below for details.
http://www.caming.com/1r2r3as9as-233a499a-hexahydro-1-3s-3-hydroxyoctyl-1h-benzfindene-25-diol-cas-101692-02-8/

This product is sold exclusively through our sales company Watson International Ltd, and please click the link below for details.
http://www.watson-int.com/1r2r3as9as-233a499a-hexahydro-1-3s-3-hydroxyoctyl-1h-benzfindene-25-diol-cas-101692-02-8/