5-Hydroxy-15 beta,16 beta-methylene-3 beta-pivaloyloxy-5 beta-androst-6-en-17-one

HCID 13075972

Daten werden ergänzt – meist innerhalb einer Minute fertig

Grundinformationen

CAS
82543-14-4
Standard-SMILES
CC(C)(C)C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)[C@H]5C[C@H]5[C@H]4[C@@H]3C=C[C@]2(O)C1
InChIKey
FFDPCMQAAUBAQI-BDIDVDKGSA-N
Summenformel
C25H36O4
Durchschnittliche Molmasse
400,5 g/mol
Monoisotopische Masse
400,26135963

Namen und Bezeichner

Bevorzugter Name
5-Hydroxy-15 beta,16 beta-methylene-3 beta-pivaloyloxy-5 beta-androst-6-en-17-one
IUPAC
[(1R,2S,3S,5S,7S,10S,11R,14S,16R)-16-hydroxy-7,11-dimethyl-6-oxo-14-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-17-enyl] 2,2-dimethylpropanoate

Namen und Synonyme

DTXSID8010364645-Hydroxy-15 beta,16 beta-methylene-3 beta-pivaloyloxy-5 beta-androst-6-en-17-one82543-14-4(3beta,5beta,15alpha,16alpha)-3-(2,2-Dimethyl-1-oxopropoxy)-15,16-dihydro-5-hydroxy-3'H-cycloprop[15,16]androsta-6,15-dien-17-one(3beta,5beta,15alpha,16alpha)-3-(2,2-Dimethyl-1-oxopropoxy)-15,16-dihydro-5-hydroxy-3'H-cycloprop(15,16)androsta-6,15-dien-17-oneRefChem:536158DTXCID101520652EC 617-345-3617-345-3AGZ4EV3KPESCHEMBL855991FFDPCMQAAUBAQI-BDIDVDKGSA-N
Weitere Namen anzeigen
NS000044115beta-hydroxy-15beta,16beta-methylene-3beta-pivaloyloxyandrost-6-en-17-one5-hydroxy-15beta,16beta-methylene-3beta-pivaloyloxy-5beta-androst-6-en-17-one(1R,2S,3S,5S,7S,10S,11R,14S,16R)-16-hydroxy-7,11-dimethyl-6-oxopentacyclo[8.8.0.0^{2,7}.0^{3,5}.0^{11,16}]octadec-17-en-14-yl 2,2-dimethylpropanoate3'H-Cycloprop[15,16]androsta-6,15-dien-17-one, 3-(2,2-dimethyl-1-oxopropoxy)-15,16-dihydro-5-hydroxy-, (3beta,5beta,15alpha,16alpha)-

Datenbank-Bezeichner

CAS
82543-14-4
PubChem CID
13075972
DTXSID
DTXSID801036464
UNII
AGZ4EV3KPE
EC Number
617-345-3

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP
4,2
Polarare Oberfläche (TPSA)
63,6 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
3
Schwere Atome
29

Experimentelle und physikochemische Eigenschaften

Endocrine DisruptorsPotential endocrine disrupting compound

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.

Not Classified

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 09-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/12831
Hazard Classes and CategoriesNot Classified

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