Episterone

CAT: 0013-GTR19279735-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19279735-01Size:50 mg

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Description

Episterone is a nucleoside metabolite.

CAS Number

149756-32-1

Smiles

C[C@@]12[C@] (C=3[C@@] ([C@]4 (C) [C@@] (CC3) (CC (=O) CC4) [H]) (CC1) [H]) (CC[C@@]2 ([C@@H] (CCC (C (C) C) =C) C) [H]) [H]

Molecular Formula

C28H44O

Molecular Weight

396.66

Notes

For research use only.

Chemical Information

Episterone

Episterone is an ergostanoid.

CAS Number	149756-32-1
PubChem CID	14826704
IUPAC Name	(5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Formula	C28H44O
Molecular Weight	396.6
XLogP	7.9
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Heavy Atom Count	29
Formal Charge	0
Complexity	699

SMILES

C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CCC(=O)C4)C)C

InChI

InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18,20-21,24-26H,3,7-9,11-17H2,1-2,4-6H3/t20-,21+,24-,25+,26+,27+,28-/m1/s1

InChIKey

XFPWUGLDJACLNZ-GZTYTQPTSA-N

Chemical Structure

2D Structure

CAS: 149756-32-1

CID: 14826704

Formula: C28H44O

MW: 396.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	396.6
XLogP3	7.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	396.339216023
Monoisotopic Mass	396.339216023
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	699
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Episterone

Chemical Information

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