Porson

CAT: 0926-GCA22203-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-GCA22203-02Size:50 mg

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

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CAS Number

56222-03-8

MDL Number

MFCD20274784

Smiles

COC1=C (C (=C2C=C1CCCCC (=O) C (CC3=CC2=C (C=C3) O) O) OC) OC

Molecular Formula

C22H26O6

Molecular Weight

386.4 g/mol

Controlled

Yes

Chemical Information

3,8-Dihydroxy-15,16,17-trimethoxytricyclo(12.3.1.12,6)nonadeca-1(18),2,4,6(19),14,16-hexaen-9-one

Porson is a member of biphenyls.

CAS Number	56222-03-8
PubChem CID	85180765
IUPAC Name	3,8-dihydroxy-15,16,17-trimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-one
Molecular Formula	C22H26O6
Molecular Weight	386.4
XLogP	3.4
Topological Polar Surface Area	85.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	28
Formal Charge	0
Complexity	511

SMILES

COC1=C(C(=C2C=C1CCCCC(=O)C(CC3=CC2=C(C=C3)O)O)OC)OC

InChI

InChI=1S/C22H26O6/c1-26-20-14-6-4-5-7-18(24)19(25)11-13-8-9-17(23)15(10-13)16(12-14)21(27-2)22(20)28-3/h8-10,12,19,23,25H,4-7,11H2,1-3H3

InChIKey

IFQDEGDKLBEYHN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 56222-03-8

CID: 85180765

Formula: C22H26O6

MW: 386.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	386.4
XLogP3	3.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	386.17293854
Monoisotopic Mass	386.17293854
Topological Polar Surface Area	85.2 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	511
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
582723	Porson