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Lobetyolin

CAT: 1410-M19431-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M19431-02Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Lobetyolin is compound derived from Codonopsis pilosula with antioxidative effect.
CAS Number
136085-37-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
396.43
Molecular Formula
C20H28O8
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

(4E,12E)-1,7-Dihydroxytetradeca-4,12-diene-8,10-diyn-6-yl beta-D-glucopyranoside

Lobetyolin is an O-acyl carbohydrate.

CAS Number136085-37-5
PubChem CID53486204
IUPAC Name(2R,3R,4S,5S,6R)-2-[(4E,12E)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC20H28O8
Molecular Weight396.4
XLogP-0.6
Topological Polar Surface Area140
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count28
Formal Charge0
Complexity646
SMILES
C/C=C/C#CC#CC(C(/C=C/CCCO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
InChI
InChI=1S/C20H28O8/c1-2-3-4-5-7-10-14(23)15(11-8-6-9-12-21)27-20-19(26)18(25)17(24)16(13-22)28-20/h2-3,8,11,14-26H,6,9,12-13H2,1H3/b3-2+,11-8+/t14?,15?,16-,17-,18+,19-,20-/m1/s1
InChIKey
MMMUDYVKKPDZHS-UPPVCQNNSA-N
Chemical Structure
2D Structure
2D structure of (4E,12E)-1,7-Dihydroxytetradeca-4,12-diene-8,10-diyn-6-yl beta-D-glucopyranoside
CAS: 136085-37-5
CID: 53486204
Formula: C20H28O8
MW: 396.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.4
XLogP3-0.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass396.17841785
Monoisotopic Mass396.17841785
Topological Polar Surface Area140 Ų
Heavy Atom Count28
Formal Charge0
Complexity646
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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