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Isoacteoside

CAT: 0013-GTR19158711-03Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19158711-03Size:1 g
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Description
Isoacteoside has the anti-inflammatory effect, mediated by action on caspase-1, mitogen-activated protein kinases (c-Jun N-terminal kinase, p38, extracellular signal-regulated protein kinase) and nuclear factor-kappa B pathways.
CAS Number
61303-13-7
Product Name Alternative
Isoverbascoside
Purity
>98% (HPLC)
Solubility
DMSO : ≥ 48 mg/mL; 76.85 mM
Smiles
C (=O) (/C=C/c1cc (c (cc1) O) O) OC[C@H]1O[C@H] ([C@@H] ([C@H] ([C@@H]1O) O[C@@H]1O[C@H] ([C@@H] ([C@H] ([C@H]1O) O) O) C) O) OCCc1cc (c (cc1) O) O
Molecular Formula
C29H36O15
Molecular Weight
624.59
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Isoacteoside

Isoacteoside is a hydroxycinnamic acid.

CAS Number61303-13-7
PubChem CID6476333
IUPAC Name[(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular FormulaC29H36O15
Molecular Weight624.6
XLogP-0.5
Topological Polar Surface Area245
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count15
Rotatable Bond Count11
Heavy Atom Count44
Formal Charge0
Complexity936
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)OCCC3=CC(=C(C=C3)O)O)COC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O)O
InChI
InChI=1S/C29H36O15/c1-13-22(35)24(37)25(38)29(42-13)44-27-23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-28(26(27)39)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27-,28+,29-/m0/s1
InChIKey
FNMHEHXNBNCPCI-QEOJJFGVSA-N
Chemical Structure
2D Structure
2D structure of Isoacteoside
CAS: 61303-13-7
CID: 6476333
Formula: C29H36O15
MW: 624.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight624.6
XLogP3-0.5
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count15
Rotatable Bond Count11
Exact Mass624.20542044
Monoisotopic Mass624.20542044
Topological Polar Surface Area245 Ų
Heavy Atom Count44
Formal Charge0
Complexity936
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BUP06480-01Isoacteoside
A12071-25Isoacteoside 25mg
A12071-5Isoacteoside 5mg
CS-T-103707Isoacteoside-13C3
HY-N0022R-01Isoacteoside (Standard)
AR-V05978-01Isoacteoside (Isoverbascoside)
A12071-100Isoacteoside 100mg
A12071-50Isoacteoside 50mg
A12071-10Isoacteoside 10mg
371577Isoacteoside discontinued. See 297255

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