Gomisin J

CAT: 0926-FG74183-02Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-FG74183-02Size:10 mg

Selected

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

Quick Request Actions

CAS Number

66280-25-9

MDL Number

MFCD29048562

Smiles

C[C@@H]1CC2=CC (=C (C (=C2C3=C (C (=C (C=C3C[C@@H]1C) O) OC) OC) OC) OC) O

Controlled

Yes

Chemical Information

Gomisin J

Gomisin J is a tannin.

CAS Number	66280-25-9
PubChem CID	3001686
IUPAC Name	(9S,10R)-3,4,15,16-tetramethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-5,14-diol
Molecular Formula	C22H28O6
Molecular Weight	388.5
XLogP	4.6
Topological Polar Surface Area	77.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	28
Formal Charge	0
Complexity	457

SMILES

C[C@@H]1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3C[C@@H]1C)O)OC)OC)OC)OC)O

InChI

InChI=1S/C22H28O6/c1-11-7-13-9-15(23)19(25-3)21(27-5)17(13)18-14(8-12(11)2)10-16(24)20(26-4)22(18)28-6/h9-12,23-24H,7-8H2,1-6H3/t11-,12+

InChIKey

PICOUNAPKDEPCA-TXEJJXNPSA-N

Chemical Structure

2D Structure

CAS: 66280-25-9

CID: 3001686

Formula: C22H28O6

MW: 388.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	388.5
XLogP3	4.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	388.18858861
Monoisotopic Mass	388.18858861
Topological Polar Surface Area	77.4 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	457
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes