Epoxy Exemestane (6-beta Isomer)

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CAS Number

152764-31-3

Synonyms

(2'R,8R,9S,10R,13S,14S) -10,13-dimethyl-7,8,9,11,12,13,15,16-octahydrospiro[cyclopenta[a]phenanthrene-6,2'-oxirane]-3,17 (10H,14H) -dione

Molecular Formula

C20H24O3

Molecular Weight

312.41

API Name

Exemestane

Chemical Information

Epoxy Exemestane (6-Beta Isomer)

CAS Number	152764-31-3
PubChem CID	86307678
IUPAC Name	(6R,8R,9S,10R,13S,14S)-10,13-dimethylspiro[7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-6,2'-oxirane]-3,17-dione
Molecular Formula	C20H24O3
Molecular Weight	312.4
XLogP	2.1
Topological Polar Surface Area	46.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	23
Formal Charge	0
Complexity	689

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C[C@]4(CO4)C5=CC(=O)C=C[C@]35C

InChI

InChI=1S/C20H24O3/c1-18-7-5-12(21)9-16(18)20(11-23-20)10-13-14-3-4-17(22)19(14,2)8-6-15(13)18/h5,7,9,13-15H,3-4,6,8,10-11H2,1-2H3/t13-,14-,15-,18+,19-,20-/m0/s1

InChIKey

GFNJDRLFFJDJAC-FLVPGIQOSA-N

Chemical Structure

2D Structure

CAS: 152764-31-3

CID: 86307678

Formula: C20H24O3

MW: 312.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	312.4
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	312.17254462
Monoisotopic Mass	312.17254462
Topological Polar Surface Area	46.7 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	689
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
AR-E08989-01	Epoxy Exemestane (6-alfa-Isomer)
AR-E10913-01	Exemestane Impurity 18 (6-beta Isomer)
AR-Z00950-01	16α, 17α-Epoxy Exemestane
AR-E02277-01	Exemestane Related Compound 2 (17-beta Isomer)
AR-E10924-01	6-beta-Exemestane EP Impurity B (6-beta-Exemestane USP Related Compound B)
AR-C07295-01	5 beta, 6 beta-Epoxy-Cholestanol
AR-E10903-01	Exemestane Impurity 6
AR-E02276-01	Exemestane Related Compound 2 (17-alpha Isomer)
AR-C07297-01	5 beta, 6 beta-Epoxy-Cholestanol-d7
AR-E02262-01	17-beta-Hydroxy Exemestane

Alternative Products

Catalog	Name
RM-E131929-01	Epoxy Exemestane (6 Alpha , Beta Isomer)
410795-01	1,2-α-Epoxy Exemestane
TRC-E589195-25MG	16alpha,17alpha-Epoxy Exemestane
sc-498548	16α,17α-Epoxy Exemestane
TRC-E589340-50MG	1,2-alpha-Epoxy Exemestane
279449-01	6-Hydroxymethyl exemestane
RM-E131936-01	Exemestane Impurity 6
TRC-H942340-1MG	17-beta-Hydroxy Exemestane
sc-475393	6-Hydroxymethyl exemestane-d3
TRC-F393940-25MG	6-Formyl-17 -hydroxy-Exemestane

Epoxy Exemestane (6-beta Isomer)

Chemical Information

Related Products

Alternative Products

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