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Epipterosin L

CAT: 0804-HY-N3833Size: 1 EachDry Ice: NoHazardous: No
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Description
Epipterosin L is a Sesquiterpenoids product that can be isolated from the rhizomes of Cibotium barometz (L.) J.Sm.[1].
CAS Number
52611-75-3
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/epipterosin-l.html
Smiles
O[C@@H]1C2=CC(C)=C(CCO)C(C)=C2C([C@@]1(C)CO)=O
Molecular Formula
C15H20O4
Molecular Weight
264.32
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Epipterosin L
CAS Number52611-75-3
PubChem CID46848746
IUPAC Name(2S,3R)-3-hydroxy-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-3H-inden-1-one
Molecular FormulaC15H20O4
Molecular Weight264.32
XLogP1.1
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity356
SMILES
CC1=CC2=C(C(=C1CCO)C)C(=O)[C@@]([C@@H]2O)(C)CO
InChI
InChI=1S/C15H20O4/c1-8-6-11-12(9(2)10(8)4-5-16)14(19)15(3,7-17)13(11)18/h6,13,16-18H,4-5,7H2,1-3H3/t13-,15+/m1/s1
InChIKey
OOAFRMHKOSBPID-HIFRSBDPSA-N
Chemical Structure
2D Structure
2D structure of Epipterosin L
CAS: 52611-75-3
CID: 46848746
Formula: C15H20O4
MW: 264.32
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight264.32
XLogP31.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass264.13615911
Monoisotopic Mass264.13615911
Topological Polar Surface Area77.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity356
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes