Decursin

CAT: 0127-BUP09260-03Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP09260-03Size:25 mg

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CAS Number

5928-25-6

Synonyms

Decursinol angelate, (+) -Decursin

Purity

=95%

Smiles

CC(C)=CC(=O)O[C@H]1Cc2cc3ccc(=O)oc3cc2OC1(C)C

Chemical Information

(+)-Decursin

Decursin is a member of coumarins.

CAS Number	5928-25-6
PubChem CID	442126
IUPAC Name	[(3S)-2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] 3-methylbut-2-enoate
Molecular Formula	C19H20O5
Molecular Weight	328.4
XLogP	3.9
Topological Polar Surface Area	61.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	24
Formal Charge	0
Complexity	585

SMILES

CC(=CC(=O)O[C@H]1CC2=C(C=C3C(=C2)C=CC(=O)O3)OC1(C)C)C

InChI

InChI=1S/C19H20O5/c1-11(2)7-18(21)23-16-9-13-8-12-5-6-17(20)22-14(12)10-15(13)24-19(16,3)4/h5-8,10,16H,9H2,1-4H3/t16-/m0/s1

InChIKey

CUKSFECWKQBVED-INIZCTEOSA-N

Chemical Structure

2D Structure

CAS: 5928-25-6

CID: 442126

Formula: C19H20O5

MW: 328.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	328.4
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	328.13107373
Monoisotopic Mass	328.13107373
Topological Polar Surface Area	61.8 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	585
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
BA2805-25	Decursin