9-Geranyloxy-4-methoxypsoralen

CAT: 0013-GTR19277954-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19277954-01Size:1 mg

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Description

9-Geranyloxy-4-methoxypsoralen is a high-purity biochemical reagent suitable for biochemical experiments and drug synthesis research.

CAS Number

17182-52-4

Smiles

COC1=C2C=CC (=O) OC2=C (OC\C=C (/C) CCC=C (C) C) C2=C1C=CO2

Molecular Formula

C22H24O5

Molecular Weight

368.43

Notes

For research use only.

Chemical Information

8-Geranyloxy-5-Methoxypsoralen

Psoralen, 8-geranyl-5-methoxy- has been reported in Melicope triphylla, Heracleum candicans, and other organisms with data available.

CAS Number	17182-52-4
PubChem CID	6442182
IUPAC Name	9-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxyfuro[3,2-g]chromen-7-one
Molecular Formula	C22H24O5
Molecular Weight	368.4
XLogP	5.6
Topological Polar Surface Area	57.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	27
Formal Charge	0
Complexity	616

SMILES

CC(=CCC/C(=C/COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)/C)C

InChI

InChI=1S/C22H24O5/c1-14(2)6-5-7-15(3)10-12-26-22-20-17(11-13-25-20)19(24-4)16-8-9-18(23)27-21(16)22/h6,8-11,13H,5,7,12H2,1-4H3/b15-10+

InChIKey

CTPXXQMJFXTTQZ-XNTDXEJSSA-N

Chemical Structure

2D Structure

CAS: 17182-52-4

CID: 6442182

Formula: C22H24O5

MW: 368.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	368.4
XLogP3	5.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	368.16237386
Monoisotopic Mass	368.16237386
Topological Polar Surface Area	57.9 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	616
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GTR19182270-01	7-Geranyloxy-5-methoxycoumarin
GTR19188806-01	5-Hydroxy-8-methoxypsoralen
GTR19227541-01	7-Geranyloxy-1,3-dihydroxyxanthone
GTR19182220	8-Geranyloxy-5,7-dimethoxycoumarin
GTR19182494	4,4'-Dihydroxy-3,3',9-trimethoxy-9,9'-epoxylignan
GTR19068347-01	ACTH (4-9)
GTR19190892	4,9-Anhydrotetrodotoxin
GTR19235467-01	DPP-4-IN-9
GTR19184615-01	MMP-9-IN-4
GTR18901049-01	ACTH (4-9)

Catalog	Name
N1304-1000	5-Methoxypsoralen
N1305-20	8-Methoxypsoralen
300001	Bergapten (5-Methoxypsoralen)
sc-200505	Methoxsalen (8-Methoxypsoralen)
379388	7-Geranyloxy-6-methoxycoumarin
379387	7-Geranyloxy-5-methoxycoumarin
XG163780	5-Geranyloxy-7-methoxycoumarin
MBS5801021	5-Hydroxy-8-methoxypsoralen
TBW00661	5-Geranyloxy-7-hydroxycoumarin