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Eupalinolide H

CAT: 0013-GTR19228042-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19228042-01Size:1 mg
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Description
Eupalinolide H is a bioactive sesquiterpene lactone used in life science research. It is applied in studies of anti-inflammatory and anti-cancer mechanisms, demonstrating activity in both in vitro cellular assays and in vivo experimental models.
CAS Number
1402067-83-7
Smiles
C (O[C@H]1[C@@]2 ([H]) C (=C) C (=O) O[C@]2 ([H]) C=C (C) [C@H] (OC (C) =O) CC=C (CO) C1) (=O) /C (/C) =C/CO
Molecular Formula
C22H28O8
Molecular Weight
420.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 162639166
CAS Number1402067-83-7
PubChem CID162639166
IUPAC Name[(3aR,4R,6E,9R,10Z,11aR)-9-acetyloxy-6-(hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate
Molecular FormulaC22H28O8
Molecular Weight420.5
XLogP0.6
Topological Polar Surface Area119
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity804
SMILES
C/C/1=C/[C@@H]2[C@@H]([C@@H](C/C(=C\C[C@H]1OC(=O)C)/CO)OC(=O)/C(=C/CO)/C)C(=C)C(=O)O2
InChI
InChI=1S/C22H28O8/c1-12(7-8-23)21(26)29-19-10-16(11-24)5-6-17(28-15(4)25)13(2)9-18-20(19)14(3)22(27)30-18/h5,7,9,17-20,23-24H,3,6,8,10-11H2,1-2,4H3/b12-7+,13-9-,16-5+/t17-,18-,19-,20+/m1/s1
InChIKey
INXZZSZBRLXKNT-HXFHGLJUSA-N
Chemical Structure
2D Structure
2D structure of CID 162639166
CAS: 1402067-83-7
CID: 162639166
Formula: C22H28O8
MW: 420.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.5
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass420.17841785
Monoisotopic Mass420.17841785
Topological Polar Surface Area119 Ų
Heavy Atom Count30
Formal Charge0
Complexity804
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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