TetrahydroBellidifolin

CAT: 1407-AB1960Size: 20 mgDry Ice: NoHazardous: No

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CAT#:1407-AB1960Size:20 mg

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

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CAS Number

189289-77-8

Purity

98% (HPLC)

Molecular Formula

C14H14O6

Molecular Weight

278.26

Chemical Information

(1S,4R)-1,4,8-trihydroxy-6-methoxy-1,2,3,4-tetrahydroxanthen-9-one

CAS Number	189289-77-8
PubChem CID	10612602
IUPAC Name	(1S,4R)-1,4,8-trihydroxy-6-methoxy-1,2,3,4-tetrahydroxanthen-9-one
Molecular Formula	C14H14O6
Molecular Weight	278.26
XLogP	0.5
Topological Polar Surface Area	96.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	20
Formal Charge	0
Complexity	445

SMILES

COC1=CC(=C2C(=C1)OC3=C(C2=O)[C@H](CC[C@H]3O)O)O

InChI

InChI=1S/C14H14O6/c1-19-6-4-9(17)11-10(5-6)20-14-8(16)3-2-7(15)12(14)13(11)18/h4-5,7-8,15-17H,2-3H2,1H3/t7-,8+/m0/s1

InChIKey

SJZPRPUHQBWPJV-JGVFFNPUSA-N

Chemical Structure

2D Structure

CAS: 189289-77-8

CID: 10612602

Formula: C14H14O6

MW: 278.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	278.26
XLogP3	0.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	278.07903816
Monoisotopic Mass	278.07903816
Topological Polar Surface Area	96.2 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	445
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

Catalog	Name
TN8614-01	TetrahydroBellidifolin