Feruloyl arabinobiose

CAT: 0013-GTR19223680-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19223680-01Size:100 mg

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Description

Feruloyl arabinobiose is a bioactive small molecule derived from spinach cell walls. It serves as a model compound in plant biochemistry research, particularly for studying cell wall structure and feruloylation processes in vitro.

CAS Number

152040-94-3

Smiles

O (C (/C=C/C1=CC (OC) =C (O) C=C1) =O) [C@H]2[C@H] (OC[C@@H] ([C@@H] ([C@H] (C=O) O) O) O) O[C@@H] (CO) [C@@H]2O

Molecular Formula

C20H26O12

Molecular Weight

458.41

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Feruloyl arabinobiose

from cell walls of spinach cells & sugar beet pulp; RN refers to open chain compound; structure given in first source

CAS Number	152040-94-3
PubChem CID	6438898
IUPAC Name	[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-2-[(2S,3S,4R)-2,3,4-trihydroxy-5-oxopentoxy]oxolan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Molecular Formula	C20H26O12
Molecular Weight	458.4
XLogP	-1.5
Topological Polar Surface Area	192
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	12
Heavy Atom Count	32
Formal Charge	0
Complexity	628

SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)O[C@@H]2[C@H]([C@@H](O[C@H]2OC[C@@H]([C@@H]([C@H](C=O)O)O)O)CO)O)O

InChI

InChI=1S/C20H26O12/c1-29-14-6-10(2-4-11(14)23)3-5-16(26)32-19-18(28)15(8-22)31-20(19)30-9-13(25)17(27)12(24)7-21/h2-7,12-13,15,17-20,22-25,27-28H,8-9H2,1H3/b5-3+/t12-,13-,15-,17+,18-,19+,20+/m0/s1

InChIKey

HXNNAMNAGKCHPV-JWIFHMNOSA-N

Chemical Structure

2D Structure

CAS: 152040-94-3

CID: 6438898

Formula: C20H26O12

MW: 458.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	458.4
XLogP3	-1.5
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	12
Exact Mass	458.14242626
Monoisotopic Mass	458.14242626
Topological Polar Surface Area	192 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	628
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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T31785-01	Feruloyl arabinobiose
OA32461-01	1,5-a-L-Arabinobiose
T82407-01	Feruloyl tyramine
HY-CE02017A	Feruloyl-CoA
HY-E70115-01	Feruloyl esterase
TYD-04391-01	Trans-Feruloyl-CoA
012025	N-Feruloyl Serotonin
CWMAF-K013S	Feruloyl Esterase (FAE)
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HY-N3211	N-cis-Feruloyl tyramine

Feruloyl arabinobiose

Chemical Information

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