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Eupalinolide A (b)

CAT: 1410-M20698-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M20698-04Size:25 mg
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Description
Eupalinolide B is a natural product and demonstrates potent cytotoxicity against A-549 BGC-823 SMMC-7721 and HL-60 tumour cell lines.
CAS Number
877822-40-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
462.49
Molecular Formula
C24H30O9
Notes
Research use only, not for human use.
Receptor
HSP90

Chemical Information

Eupalinolide I

Eupalinolide A is a germacranolide.

CAS Number877822-40-7
PubChem CID77985550
IUPAC Name[9-acetyloxy-6-(acetyloxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 4-hydroxy-2-methylbut-2-enoate
Molecular FormulaC24H30O9
Molecular Weight462.5
XLogP1.2
Topological Polar Surface Area125
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity909
SMILES
CC1=CC2C(C(CC(=CCC1OC(=O)C)COC(=O)C)OC(=O)C(=CCO)C)C(=C)C(=O)O2
InChI
InChI=1S/C24H30O9/c1-13(8-9-25)23(28)32-21-11-18(12-30-16(4)26)6-7-19(31-17(5)27)14(2)10-20-22(21)15(3)24(29)33-20/h6,8,10,19-22,25H,3,7,9,11-12H2,1-2,4-5H3
InChIKey
HPWMABTYJYZFLK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Eupalinolide I
CAS: 877822-40-7
CID: 77985550
Formula: C24H30O9
MW: 462.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.5
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass462.18898253
Monoisotopic Mass462.18898253
Topological Polar Surface Area125 Ų
Heavy Atom Count33
Formal Charge0
Complexity909
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count3
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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MBS3840525-01Eupalinolide A
CGC06783-01Eupalinolide H
HY-N0753-01Eupalinolide B
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