Xanthochymusside

CAT: 0013-GTR19231644-02Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19231644-02Size:2 mg

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Description

Xanthochymusside (CAS 31654-49-6) is a natural product suitable for use as an analytical reference standard. It is utilized in research for studying its biological activities, including in vitro evaluations relevant to metabolic and inflammatory pathways.

CAS Number

31654-49-6

Smiles

OC[C@H]1O[C@@H] (Oc2cc (O) c3C (=O) C[C@H] (Oc3c2[C@H]2[C@@H] (Oc3cc (O) cc (O) c3C2=O) c2ccc (O) cc2) c2ccc (O) c (O) c2) [C@H] (O) [C@@H] (O) [C@@H]1O

Molecular Formula

C36H32O16

Molecular Weight

720.636

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Xanthochymusside

Xanthochymusside has been reported in Garcinia multiflora, Garcinia dulcis, and Garcinia xanthochymus with data available.

CAS Number	31654-49-6
PubChem CID	101324769
IUPAC Name	(2S)-8-[(2S,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Molecular Formula	C36H32O16
Molecular Weight	720.6
XLogP	2.4
Topological Polar Surface Area	273
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	6
Heavy Atom Count	52
Formal Charge	0
Complexity	1260

SMILES

C1[C@H](OC2=C(C1=O)C(=CC(=C2[C@@H]3[C@H](OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)C7=CC(=C(C=C7)O)O

InChI

InChI=1S/C36H32O16/c37-12-25-30(45)32(47)33(48)36(52-25)51-24-11-21(44)26-20(43)10-22(14-3-6-17(40)18(41)7-14)49-35(26)28(24)29-31(46)27-19(42)8-16(39)9-23(27)50-34(29)13-1-4-15(38)5-2-13/h1-9,11,22,25,29-30,32-34,36-42,44-45,47-48H,10,12H2/t22-,25+,29-,30+,32-,33+,34+,36+/m0/s1

InChIKey

XGQOXAVFFQEOBL-CALYIKIKSA-N

Chemical Structure

2D Structure

CAS: 31654-49-6

CID: 101324769

Formula: C36H32O16

MW: 720.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	720.6
XLogP3	2.4
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	6
Exact Mass	720.16903493
Monoisotopic Mass	720.16903493
Topological Polar Surface Area	273 Å²
Heavy Atom Count	52
Formal Charge	0
Complexity	1260
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
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
MBS5790548	Xanthochymusside

Xanthochymusside

Chemical Information

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