Chamigrenal

CAT: 0926-FC74404-04Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-FC74404-04Size:10 mg

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CAS Number

19912-84-6

MDL Number

MFCD29917894

Smiles

CC1 (CCCC (=C) C12CCC (=CC2) C=O) C

Molecular Formula

C15H22O

Molecular Weight

218.33 g/mol

Controlled

Chemical Information

Chamigrenal

Chamigrenal has been reported in Schisandra chinensis with data available.

CAS Number	19912-84-6
PubChem CID	177096
IUPAC Name	5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-9-carbaldehyde
Molecular Formula	C15H22O
Molecular Weight	218.33
XLogP	3.9
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	16
Formal Charge	0
Complexity	348

SMILES

CC1(CCCC(=C)C12CCC(=CC2)C=O)C

InChI

InChI=1S/C15H22O/c1-12-5-4-8-14(2,3)15(12)9-6-13(11-16)7-10-15/h6,11H,1,4-5,7-10H2,2-3H3

InChIKey

MJSPQLDLFYGVAU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19912-84-6

CID: 177096

Formula: C15H22O

MW: 218.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	218.33
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	218.167065321
Monoisotopic Mass	218.167065321
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	348
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
UAA82280-01	Chamigrenol
ZWB38831-01	β-CHAmigrenic acid

Catalog	Name
M31630-01	Chamigrenal
371270	Chamigrenal discontinued