1,2-Dihydro Exemestane

CAT: 0024-sc-396717BSize: 9 gDry Ice: NoHazardous: No

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CAT#:0024-sc-396717BSize:9 g

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CAS Number

19457-55-7

Chemical Information

6-Methyleneandrost-4-ene-3,17-dione

CAS Number	19457-55-7
PubChem CID	12951800
IUPAC Name	(8R,9S,10R,13S,14S)-10,13-dimethyl-6-methylidene-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
Molecular Formula	C20H26O2
Molecular Weight	298.4
XLogP	2.6
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	22
Formal Charge	0
Complexity	613

SMILES

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

InChI

InChI=1S/C20H26O2/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/h11,14-16H,1,4-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1

InChIKey

KQRGETZTRARSMA-DAELLWKTSA-N

Chemical Structure

2D Structure

CAS: 19457-55-7

CID: 12951800

Formula: C20H26O2

MW: 298.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	298.4
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	298.193280068
Monoisotopic Mass	298.193280068
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	613
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-203045	Exemestane
sc-203045A	Exemestane
sc-490408	6-Hydroxymethyl Exemestane
sc-218454	Exemestane-19-d3
sc-499281	Exemestane-13C, d2
sc-498912	1,2-Dihydro dexamethasone
sc-498901	1,2-Dihydro desoxymetasone
sc-491605	17β-Hydroxy Exemestane-d3
sc-475393	6-Hydroxymethyl exemestane-d3
sc-491608	17β-Hydroxy Exemestane Sulfamate