Latinone

CAT: 0926-EDA15736-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-EDA15736-01Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

79157-36-1

Smiles

COC1=CC (=O) C2=C (C1=O) C3=CC (=C (C=C3C (=C2) C4=CC=CC=C4) O) OC

Molecular Formula

C22H16O5

Molecular Weight

360.4 g/mol

Controlled

Chemical Information

Latinone

Latinone has been reported in Dalbergia cochinchinensis and Dalbergia latifolia with data available.

CAS Number	79157-36-1
PubChem CID	10021410
IUPAC Name	7-hydroxy-3,6-dimethoxy-9-phenylphenanthrene-1,4-dione
Molecular Formula	C22H16O5
Molecular Weight	360.4
XLogP	4.1
Topological Polar Surface Area	72.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	27
Formal Charge	0
Complexity	620

SMILES

COC1=CC(=O)C2=C(C1=O)C3=CC(=C(C=C3C(=C2)C4=CC=CC=C4)O)OC

InChI

InChI=1S/C22H16O5/c1-26-19-10-15-14(9-18(19)24)13(12-6-4-3-5-7-12)8-16-17(23)11-20(27-2)22(25)21(15)16/h3-11,24H,1-2H3

InChIKey

WAAZBXYZFBGWND-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 79157-36-1

CID: 10021410

Formula: C22H16O5

MW: 360.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	360.4
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	360.09977361
Monoisotopic Mass	360.09977361
Topological Polar Surface Area	72.8 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	620
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
GTR19179649	Latinone