Muricarpone B

CAT: 0926-LKB22615-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-LKB22615-02Size:5 mg

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CAS Number

886226-15-9

MDL Number

MFCD27967783

Smiles

O=C (CCC1=CC (O) =C (C=C1) O) CCCCC2=CC=C (O) C (O) =C2

Molecular Formula

C19H22O5

Molecular Weight

330.37 g/mol

Controlled

Chemical Information

Muricarpone B

1,7-bis(3,4-dihydroxyphenyl)heptan-3-one is a diarylheptanoid.

CAS Number	886226-15-9
PubChem CID	11573476
IUPAC Name	1,7-bis(3,4-dihydroxyphenyl)heptan-3-one
Molecular Formula	C19H22O5
Molecular Weight	330.4
XLogP	3.2
Topological Polar Surface Area	98
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	24
Formal Charge	0
Complexity	386

SMILES

C1=CC(=C(C=C1CCCCC(=O)CCC2=CC(=C(C=C2)O)O)O)O

InChI

InChI=1S/C19H22O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h6-7,9-12,21-24H,1-5,8H2

InChIKey

UHRUXUCWHIGENP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 886226-15-9

CID: 11573476

Formula: C19H22O5

MW: 330.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	330.4
XLogP3	3.2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	330.14672380
Monoisotopic Mass	330.14672380
Topological Polar Surface Area	98 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	386
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
HY-N13582	Muricarpone B