((3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(trifluoromethylsulfonyloxy)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta(a)phenanthren-3-yl) acetate

HCID 10457059

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Grundinformationen

CAS: 115375-60-5
Standard-SMILES: CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(OS(=O)(=O)C(F)(F)F)=CC[C@@H]32)C1
InChIKey: MCIVSCZCJRGEJR-ZKHIMWLXSA-N
Summenformel: C22H29F3O5S
Durchschnittliche Molmasse: 462,5 g/mol

Namen und Bezeichner

Bevorzugter Name: ((3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(trifluoromethylsulfonyloxy)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta(a)phenanthren-3-yl) acetate
IUPAC: [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(trifluoromethylsulfonyloxy)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Namen und Synonyme

[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(trifluoromethylsulfonyloxy)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate((3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(trifluoromethylsulfonyloxy)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta(a)phenanthren-3-yl) acetateRefChem:390103806-821-8115375-60-5(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(trifluoromethylsulfonyloxy)-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetateMFCD18252939(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(((trifluoromethyl)sulfonyl)oxy)-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetateC22H29F3O5S[10,13-dimethyl-17-(trifluoromethylsulfonyloxy)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetateAndrosta-5,16-diene-3beta,17-diol 3-Acetate 17-Trifluoromethanesulfonate(3beta)-Androsta-5,16-diene-3,17-diol 3-Acetate 17-(Trifluoromethanesulfonate)

Weitere Namen anzeigen

B4ETH4CAD6orb3144294SCHEMBL8433713TQR0664CS-M0349TYD-03635AKOS027250731CS-14260

Datenbank-Bezeichner

CAS: 115375-60-5
PubChem CID: 10457059
UNII: B4ETH4CAD6
EC Number: 806-821-8

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP: 5,4
Polarare Oberfläche (TPSA): 78,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 8
Frei drehbare Bindungen: 4
Schwere Atome: 31
Formalladung: 0
Komplexität: 932

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]

P203, P260, P263, P264, P270, P273, P280, P318, P319, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.