α-Arteether

CAT: 0024-sc-471018Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-471018Size:5 mg

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CAS Number

82534-75-6

Chemical Information

Alpha-Arteether

CAS Number	82534-75-6
PubChem CID	158150
IUPAC Name	(1R,4S,5R,8S,9R,10R,12R,13R)-10-ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane
Molecular Formula	C17H28O5
Molecular Weight	312.4
XLogP	3.4
Topological Polar Surface Area	46.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	22
Formal Charge	0
Complexity	443

SMILES

CCO[C@H]1[C@@H]([C@@H]2CC[C@H]([C@H]3[C@]24[C@H](O1)O[C@@](CC3)(OO4)C)C)C

InChI

InChI=1S/C17H28O5/c1-5-18-14-11(3)13-7-6-10(2)12-8-9-16(4)20-15(19-14)17(12,13)22-21-16/h10-15H,5-9H2,1-4H3/t10-,11-,12+,13+,14-,15-,16-,17-/m1/s1

InChIKey

NLYNIRQVMRLPIQ-LTLPSTFDSA-N

Chemical Structure

2D Structure

CAS: 82534-75-6

CID: 158150

Formula: C17H28O5

MW: 312.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	312.4
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	312.19367399
Monoisotopic Mass	312.19367399
Topological Polar Surface Area	46.2 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	443
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes