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Exemestane
SpectraBase Compound ID HoMQGZgrJAG
InChI InChI=1S/C20H24O2.CH4/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19;/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3;1H4/t14-,15-,16?,19+,20-;/m0./s1
InChIKey LRGUDGSNJQHOFX-NSRKLEFFSA-N
Mol Weight 312.45 g/mol
Molecular Formula C21H28O2
Exact Mass 312.20893 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID DFh5eZVURPd
Name Exemestane
Source of Sample Cayman Chemical Company
Catalog Number 15008
Lot Number 0446206-8
CAS Registry Number 107868-30-4
Classification third generation, irreversible steroidal aromatase inhibitor
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Formula C21H28O2
IUPAC Name 6-Methylene-androsta-1,4-diene-3,17-dione
InChI InChI=1S/C20H24O2.CH4/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19;/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3;1H4/t14-,15-,16?,19+,20-;/m0./s1
InChIKey LRGUDGSNJQHOFX-NSRKLEFFSA-N
Instrument Name Bio-Rad FTS
Molecular Weight 312.453 g/mol
SMILES C.[C@@]12(\C=C/C(\C=C/1C(C[C@]1([C@@]3(CCC([C@]3(CCC21)C)=O)[H])[H])=C)=O)C
Source of Spectrum Forensic Spectral Research
Synonyms FCE 24304
Technique KBr0
Tradename Aromasin