Decuroside IV

CAT: 0013-GTR19229641-03Size: 3 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19229641-03Size:3 mg

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Description

Decuroside IV (CAS 96627-80-4) is a natural product glycoside used in life science research. It serves as a biochemical tool for in vitro studies investigating biological pathways and cellular mechanisms.

CAS Number

96627-80-4

Smiles

CC (C) (O[C@@H]1O[C@H] (CO[C@@H]2OC[C@] (O) (CO) [C@H]2O) [C@@H] (O) [C@H] (O) [C@H]1O) C1Cc2cc3ccc (=O) oc3cc2O1

Molecular Formula

C25H32O13

Molecular Weight

540.518

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Decuroside IV

CAS Number	96627-80-4
PubChem CID	75368779
IUPAC Name	2-[2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one
Molecular Formula	C25H32O13
Molecular Weight	540.5
XLogP	-1.5
Topological Polar Surface Area	194
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	7
Heavy Atom Count	38
Formal Charge	0
Complexity	896

SMILES

CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@](CO5)(CO)O)O)O)O)O

InChI

InChI=1S/C25H32O13/c1-24(2,16-6-12-5-11-3-4-17(27)36-13(11)7-14(12)35-16)38-22-20(30)19(29)18(28)15(37-22)8-33-23-21(31)25(32,9-26)10-34-23/h3-5,7,15-16,18-23,26,28-32H,6,8-10H2,1-2H3/t15-,16?,18-,19+,20-,21+,22+,23-,25-/m1/s1

InChIKey

WUXQDGGGYDCEJK-PVXHOAACSA-N

Chemical Structure

2D Structure

CAS: 96627-80-4

CID: 75368779

Formula: C25H32O13

MW: 540.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	540.5
XLogP3	-1.5
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	7
Exact Mass	540.18429107
Monoisotopic Mass	540.18429107
Topological Polar Surface Area	194 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	896
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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TBZ0236	Decuroside Ⅲ
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M31452-01	Decuroside I
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Decuroside IV

Chemical Information

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