Symplocoside

CAT: 0013-GTR19233241Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19233241Size:5 mg

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Description

Symplocoside (CAS 76502-76-6) is a natural product suitable for use as an analytical reference standard. It is utilized in research applications, including in vitro studies investigating its potential biological activities.

CAS Number

76502-76-6

Smiles

O[C@H]1[C@H] (OC=2C (C1) =C (O) C=C (O[C@@H]3O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]3O) C2) C4=CC (OC) =C (O) C=C4

Molecular Formula

C22H26O11

Molecular Weight

466.4

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Symplocoside

(2S,3R,4S,5S,6R)-2-[[(2R,3R)-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol has been reported in Symplocos uniflora and Pseudotsuga menziesii with data available.

CAS Number	76502-76-6
PubChem CID	14282770
IUPAC Name	(2S,3R,4S,5S,6R)-2-[[(2R,3R)-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Formula	C22H26O11
Molecular Weight	466.4
XLogP	-1.1
Topological Polar Surface Area	179
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	5
Heavy Atom Count	33
Formal Charge	0
Complexity	637

SMILES

COC1=C(C=CC(=C1)[C@@H]2[C@@H](CC3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O

InChI

InChI=1S/C22H26O11/c1-30-16-4-9(2-3-12(16)24)21-14(26)7-11-13(25)5-10(6-15(11)32-21)31-22-20(29)19(28)18(27)17(8-23)33-22/h2-6,14,17-29H,7-8H2,1H3/t14-,17-,18-,19+,20-,21-,22-/m1/s1

InChIKey

NSWUFLQDWPOETD-UHGNYUERSA-N

Chemical Structure

2D Structure

CAS: 76502-76-6

CID: 14282770

Formula: C22H26O11

MW: 466.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	466.4
XLogP3	-1.1
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	5
Exact Mass	466.14751164
Monoisotopic Mass	466.14751164
Topological Polar Surface Area	179 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	637
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
TN7427-01	Symplocoside

Symplocoside

Chemical Information

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