Peucedanocoumarin III

CAT: 0931-TN4757Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-TN4757Size:5 mg

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CAS Number

130464-57-2

Target

Others

Related Pathways

Others

Bioactivity

Peucedanocoumarin III can induce rice resistance to blast disease.

Smiles

O(C(/C(=C/C)/C)=O)[C@@H]1C=2C3=C(C=CC2OC(C)(C)[C@H]1OC(C)=O)C=CC(=O)O3

Molecular Formula

C21H22O7

Molecular Weight

386.4

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Peucedanocoumarin III

Peucedanocoumarin III has been reported in Morinda citrifolia and Kitagawia praeruptora with data available.

CAS Number	130464-57-2
PubChem CID	1032882
IUPAC Name	[(9S,10R)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (E)-2-methylbut-2-enoate
Molecular Formula	C21H22O7
Molecular Weight	386.4
XLogP	3.1
Topological Polar Surface Area	88.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	28
Formal Charge	0
Complexity	720

SMILES

C/C=C(\C)/C(=O)O[C@H]1[C@@H](C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C

InChI

InChI=1S/C21H22O7/c1-6-11(2)20(24)27-18-16-14(28-21(4,5)19(18)25-12(3)22)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6+/t18-,19+/m1/s1

InChIKey

LYUZYPKZQDYMEE-KNXUDURGSA-N

Chemical Structure

2D Structure

CAS: 130464-57-2

CID: 1032882

Formula: C21H22O7

MW: 386.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	386.4
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	386.13655304
Monoisotopic Mass	386.13655304
Topological Polar Surface Area	88.1 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	720
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
MBS5787286	PeucedanoCoumarin I
FFA46457-01	Peucedanocoumarin III
MBS5787287	PeucedanoCoumarin II

Peucedanocoumarin III

Chemical Information

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