Eupalinolide I

CAT: 0926-CGC06784-03Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-CGC06784-03Size:10 mg

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CAS Number

1402067-84-8

Smiles

CC1=CC2C (C (CC (=CCC1OC (=O) C) COC (=O) C) OC (=O) C (=CCO) C) C (=C) C (=O) O2

Molecular Formula

C24H30O9

Molecular Weight

462.5 g/mol

Controlled

Chemical Information

Eupalinolide I

Eupalinolide A is a germacranolide.

CAS Number	1402067-84-8
PubChem CID	77985550
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 Formula	C24H30O9
Molecular Weight	462.5
XLogP	1.2
Topological Polar Surface Area	125
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	9
Heavy Atom Count	33
Formal Charge	0
Complexity	909

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

CAS: 1402067-84-8

CID: 77985550

Formula: C24H30O9

MW: 462.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	462.5
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	9
Exact Mass	462.18898253
Monoisotopic Mass	462.18898253
Topological Polar Surface Area	125 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	909
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	3
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

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MBS3840525-01	Eupalinolide A
T125919-01	Eupalinolide H
HY-N0753-01	Eupalinolide B
300258	Eupalinolide K
GTR19237153-01	Eupalinolide O
GTR19181680	Eupalinolide I

Eupalinolide I

Chemical Information

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