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Madolin U

CAT: 0013-GTR19218437-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19218437-01Size:5 mg
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Description
Madolin U is a germacrane-type sesquiterpene isolated from Viola yedoensis. This natural product is utilized in research for its potential bioactivities, with studies exploring its effects in both in vitro assays and in vivo pharmacological models.
CAS Number
327185-00-2
Smiles
C (C) (=C) [C@@H]1[C@]2 (C=C (C (=O) O2) CCC (O) C (=C) CC1) [H]
Molecular Formula
C15H20O3
Molecular Weight
248.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Madolin U

Madolin U has been reported in Aristolochia mollissima with data available.

CAS Number327185-00-2
PubChem CID10848166
IUPAC Name(8R,9R)-4-hydroxy-5-methylidene-8-prop-1-en-2-yl-10-oxabicyclo[7.2.1]dodec-1(12)-en-11-one
Molecular FormulaC15H20O3
Molecular Weight248.32
XLogP2.4
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity419
SMILES
CC(=C)[C@H]1CCC(=C)C(CCC2=C[C@H]1OC2=O)O
InChI
InChI=1S/C15H20O3/c1-9(2)12-6-4-10(3)13(16)7-5-11-8-14(12)18-15(11)17/h8,12-14,16H,1,3-7H2,2H3/t12-,13?,14-/m1/s1
InChIKey
AHRAJHROHXBDAF-WYAMFQBQSA-N
Chemical Structure
2D Structure
2D structure of Madolin U
CAS: 327185-00-2
CID: 10848166
Formula: C15H20O3
MW: 248.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.32
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass248.14124450
Monoisotopic Mass248.14124450
Topological Polar Surface Area46.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity419
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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