Xanthorrhizol

CAT: 0024-sc-202855Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-202855Size:1 mg

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CAS Number

30199-26-9

Chemical Information

Xanthorrhizol

Xanthorrhizol is a sesquiterpenoid.

CAS Number	30199-26-9
PubChem CID	93135
IUPAC Name	2-methyl-5-[(2R)-6-methylhept-5-en-2-yl]phenol
Molecular Formula	C15H22O
Molecular Weight	218.33
XLogP	5.1
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	16
Formal Charge	0
Complexity	228

SMILES

CC1=C(C=C(C=C1)[C@H](C)CCC=C(C)C)O

InChI

InChI=1S/C15H22O/c1-11(2)6-5-7-12(3)14-9-8-13(4)15(16)10-14/h6,8-10,12,16H,5,7H2,1-4H3/t12-/m1/s1

InChIKey

FKWGCEDRLNNZOZ-GFCCVEGCSA-N

Chemical Structure

2D Structure

CAS: 30199-26-9

CID: 93135

Formula: C15H22O

MW: 218.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	218.33
XLogP3	5.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	218.167065321
Monoisotopic Mass	218.167065321
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	228
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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
TRC-X742050-5MG	Xanthorrhizol
468855-01	Xanthorrhizol-d3
A19796-50	Xanthorrhizol 50mg
A19796-5	Xanthorrhizol 5mg
A19796-25	Xanthorrhizol 25mg
A19796-1	Xanthorrhizol 1mg
A19796-100	Xanthorrhizol 100mg
A19796-10	Xanthorrhizol 10mg
TRC-X742075-25MG	Xanthorrhizol (Technical grade)
HY-W745330	Xanthorrhizol impurity 1