Curcumenol

CAT: 0127-BUP10651-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP10651-02Size:10 mg

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CAS Number

19431-84-6

Synonyms

(+) -Curcumenol

Purity

=95%

Smiles

C[C@H]1CC[C@H]2C(C)=C[C@@]3(O)O[C@@]12CC3=C(C)C

Chemical Information

Curcumenol

Curcumenol has been reported in Curcuma xanthorrhiza, Artemisia annua, and other organisms with data available.

CAS Number	19431-84-6
PubChem CID	167812
IUPAC Name	(1S,2S,5S,8R)-2,6-dimethyl-9-propan-2-ylidene-11-oxatricyclo[6.2.1.01,5]undec-6-en-8-ol
Molecular Formula	C15H22O2
Molecular Weight	234.33
XLogP	2.2
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	17
Formal Charge	0
Complexity	430

SMILES

C[C@H]1CC[C@@H]2[C@]13CC(=C(C)C)[C@](O3)(C=C2C)O

InChI

InChI=1S/C15H22O2/c1-9(2)13-8-14-11(4)5-6-12(14)10(3)7-15(13,16)17-14/h7,11-12,16H,5-6,8H2,1-4H3/t11-,12-,14-,15+/m0/s1

InChIKey

ISFMXVMWEWLJGJ-NZBPQXDJSA-N

Chemical Structure

2D Structure

CAS: 19431-84-6

CID: 167812

Formula: C15H22O2

MW: 234.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	234.33
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	234.161979940
Monoisotopic Mass	234.161979940
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	430
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
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
OR1026652-01	Curcumol
BUP10577-01	Curcumol