Curzerenone

CAT: 0607-BA1340-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA1340-5Size:5 mg

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CAS Number

20493-56-5

Form

A liquid

Molecular Formula

C15H18O2

Molecular Weight

230.30

Shipping Conditions

Blue ice

Storage Conditions

-20°C, protect from light.

Chemical Information

Curzerenone

Curzerenone is a monoterpenoid.

CAS Number	20493-56-5
PubChem CID	3081930
IUPAC Name	(5R,6R)-6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-5,7-dihydro-1-benzofuran-4-one
Molecular Formula	C15H18O2
Molecular Weight	230.30
XLogP	4
Topological Polar Surface Area	30.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	371

SMILES

CC1=COC2=C1C(=O)[C@@H]([C@@](C2)(C)C=C)C(=C)C

InChI

InChI=1S/C15H18O2/c1-6-15(5)7-11-12(10(4)8-17-11)14(16)13(15)9(2)3/h6,8,13H,1-2,7H2,3-5H3/t13-,15-/m0/s1

InChIKey

ZVMJXSJCBLRAPD-ZFWWWQNUSA-N

Chemical Structure

2D Structure

CAS: 20493-56-5

CID: 3081930

Formula: C15H18O2

MW: 230.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	230.30
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	230.130679813
Monoisotopic Mass	230.130679813
Topological Polar Surface Area	30.2 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	371
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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
BA2857-10	Curzerene
BA2857-5	Curzerene

Catalog	Name
TN1538-01	Curzerenone