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Luteolin 5-rutinoside

CAT: 0013-GTR19228043-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19228043-01Size:1 mg
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Description
Luteolin 5-rutinoside (CAS 140380-87-6) is a flavonoid glycoside used in life science research. It serves as a reference standard in studies investigating its antioxidant, anti-inflammatory, and potential neuroprotective activities in both in vitro and in vivo experimental models.
CAS Number
140380-87-6
Smiles
C[C@@H]1O[C@@H] (OC[C@H]2O[C@@H] (Oc3cc (O) cc4oc (cc (=O) c34) -c3ccc (O) c (O) c3) [C@H] (O) [C@@H] (O) [C@@H]2O) [C@H] (O) [C@H] (O) [C@H]1O
Molecular Formula
C27H30O15
Molecular Weight
594.522
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

Luteolin-5-O-beta-rutinoside has been reported in Salvia officinalis with data available.

CAS Number140380-87-6
PubChem CID6918756
IUPAC Name2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Molecular FormulaC27H30O15
Molecular Weight594.5
XLogP-1.7
Topological Polar Surface Area245
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Heavy Atom Count42
Formal Charge0
Complexity979
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=CC4=C3C(=O)C=C(O4)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O
InChI
InChI=1S/C27H30O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)41-17-6-11(28)5-16-19(17)14(31)7-15(40-16)10-2-3-12(29)13(30)4-10/h2-7,9,18,20-30,32-37H,8H2,1H3/t9-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1
InChIKey
VMSNOYODYWRTOP-FOBVWLSUSA-N
Chemical Structure
2D Structure
2D structure of 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
CAS: 140380-87-6
CID: 6918756
Formula: C27H30O15
MW: 594.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight594.5
XLogP3-1.7
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Exact Mass594.15847025
Monoisotopic Mass594.15847025
Topological Polar Surface Area245 Ų
Heavy Atom Count42
Formal Charge0
Complexity979
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5791382Luteolin 5-rutinoside
T11895-01Luteolin-7-rutinoside
GK3885-1mgLuteolin 7-rutinoside
AB3457Luteolin 7-O-Rutinoside
AR-L08028-01Luteolin 7-O-Rutinoside (Scolymoside)
OL159316-01Luteolin 5-glucoside
TN5506Luteolin 5-methyl ether
BUP21144-01Luteolin 5-O-glucoside
300595Luteolin-5-O-glucoside
MBS5787619Luteolin 5,3'-dimethyl ether

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