Panaxynol

CAT: 0926-GDA20357-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-GDA20357-02Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

81203-57-8

Smiles

CCCCCCCC=CCC#CC#CC (C=C) O

Molecular Formula

C17H24O

Molecular Weight

244.37 g/mol

Controlled

Chemical Information

(S)-Falcarinol

(3S,9Z)-1,9-Heptadecadiene-4,6-diyn-3-ol is a long-chain fatty alcohol.

CAS Number	81203-57-8
PubChem CID	5469789
IUPAC Name	(3S,9Z)-heptadeca-1,9-dien-4,6-diyn-3-ol
Molecular Formula	C17H24O
Molecular Weight	244.37
XLogP	5.5
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	9
Heavy Atom Count	18
Formal Charge	0
Complexity	363

SMILES

CCCCCCC/C=C\CC#CC#C[C@H](C=C)O

InChI

InChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,17-18H,2-3,5-9,12H2,1H3/b11-10-/t17-/m0/s1

InChIKey

UGJAEDFOKNAMQD-MQNTZWLQSA-N

Chemical Structure

2D Structure

CAS: 81203-57-8

CID: 5469789

Formula: C17H24O

MW: 244.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	244.37
XLogP3	5.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	9
Exact Mass	244.182715385
Monoisotopic Mass	244.182715385
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	363
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
462011-01	Panaxynol
MBS5761061	Falcarinol, panaxynol