Eriosemation

CAT: 0926-MGA61672-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-MGA61672-02Size:25 mg

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CAS Number

162616-72-0

Smiles

CCOC (=O) C1=CC (=C (C=C1O) Cl) Cl

Molecular Formula

C19H22O4

Molecular Weight

314.40 g/mol

Controlled

Chemical Information

Eriosemation

Eriosemation has been reported in Eriosema tuberosum and Lupinus luteus with data available.

CAS Number	162616-72-0
PubChem CID	15291690
IUPAC Name	5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one
Molecular Formula	C19H22O4
Molecular Weight	314.4
XLogP	5.2
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	23
Formal Charge	0
Complexity	523

SMILES

CC(=CCC1=C(C(=C2C(=C1O)C(=O)C=CO2)CC=C(C)C)O)C

InChI

InChI=1S/C19H22O4/c1-11(2)5-7-13-17(21)14(8-6-12(3)4)19-16(18(13)22)15(20)9-10-23-19/h5-6,9-10,21-22H,7-8H2,1-4H3

InChIKey

DNZGQFQVMYCNOP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 162616-72-0

CID: 15291690

Formula: C19H22O4

MW: 314.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	314.4
XLogP3	5.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	314.15180918
Monoisotopic Mass	314.15180918
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	523
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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
TGA01017-01	Eriosematin
AHA44802-01	Eriosematin A

Catalog	Name
HY-N10077	Eriosemation