Epicurzerenone

CAT: 0926-VAA08585-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-VAA08585-01Size:10 mg

Selected

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

Quick Request Actions

CAS Number

20085-85-2

Molecular Formula

C15H18O2

Molecular Weight

230.30 g/mol

Controlled

Chemical Information

5-epi-Curzerenone

curzerenone has been reported in Curcuma aromatica, Curcuma zedoaria, and other organisms with data available.

CAS Number	20085-85-2
PubChem CID	5317062
IUPAC Name	(5R,6S)-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-DZGCQCFKSA-N

Chemical Structure

2D Structure

CAS: 20085-85-2

CID: 5317062

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
T125416-01	Epicurzerenone