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Exemestane

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SKU: EX1105-25MG Category:
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CID

60198
CAS

107868-30-4
InChI

InChI=1S/C20H24O2/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/t14-, 15-, 16-, 19+, 20-/m0/s1
InChIKey

BFYIZQONLCFLEV-DAELLWKTSA-N
Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=C)C4=CC(=O)C=C[C@]34C
Canonical SMILES

CC12CCC3C(C1CCC2=O)CC(=C)C4=CC(=O)C=CC34C
IUPAC Name

(8R, 9S, 10R, 13S, 14S)-10, 13-dimethyl-6-methylidene-7, 8, 9, 11, 12, 14, 15, 16-octahydrocyclopenta[a]phenanthrene-3, 17-dione
Molecular Formula

C20H24O2
Molecular Weight

296.4
Monoisotopic Mass

296.177630004
Polar Area

34.1
Complexity

653
XLogP

3.1
Heavy Atom Count

22
Hydrogen Bond Donor Count

0
Hydrogen Bond Acceptor Count

2
Rotatable Bond Count

0
Physical Appearance

Clear Liquid
Stability

Room Temperature

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