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Regaloside C

CAT: 0931-TN6490-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-TN6490-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
117591-85-2
Target
Others
Related Pathways
Others
Purity
0.9999
Bioactivity
Regaloside C, a glycerol glucoside isolated from the Lilium genus, exhibits notable anti-inflammatory properties.
Smiles
OC[C@H]1O[C@@H](OC[C@H](O)COC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
Molecular Formula
C18H24O11
Molecular Weight
416.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Regaloside C

Regaloside C has been reported in Lilium pardalinum, Lilium henryi, and other organisms with data available.

CAS Number117591-85-2
PubChem CID14135348
IUPAC Name[(2S)-2-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular FormulaC18H24O11
Molecular Weight416.4
XLogP-1.4
Topological Polar Surface Area186
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity542
SMILES
C1=CC(=C(C=C1/C=C/C(=O)OC[C@H](CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O
InChI
InChI=1S/C18H24O11/c19-6-13-15(24)16(25)17(26)18(29-13)28-8-10(20)7-27-14(23)4-2-9-1-3-11(21)12(22)5-9/h1-5,10,13,15-22,24-26H,6-8H2/b4-2+/t10-,13-,15-,16+,17-,18-/m1/s1
InChIKey
DVLNCWXFKKSRQB-NSVVQGBUSA-N
Chemical Structure
2D Structure
2D structure of Regaloside C
CAS: 117591-85-2
CID: 14135348
Formula: C18H24O11
MW: 416.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.4
XLogP3-1.4
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Exact Mass416.13186158
Monoisotopic Mass416.13186158
Topological Polar Surface Area186 Ų
Heavy Atom Count29
Formal Charge0
Complexity542
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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