Eupalinilide C

CAT: 0931-TN1629Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-TN1629Size:5 mg

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CAS Number

757202-11-2

Target

Others

Related Pathways

Others

Bioactivity

Eupalinilide C is a natural product from Impatiens balsamina L.

Smiles

[H][C@@]12OC[C@@]3(O)C[C@@H](OC(=O)C(\C)=C\CO)[C@@]4([H])C(=C)C(=O)O[C@]4([H])[C@@]([H])(C(C)=C1)[C@@]23[H] |c:29|

Molecular Formula

C20H24O7

Molecular Weight

376.405

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Eupalinilide C

(1R,2R,6R,7R,9R,12R,15S)-9-hydroxy-14-methyl-5-methylidene-4-oxo-3,11-dioxatetracyclo[7.5.1.0²,⁶.0¹²,¹⁵]pentadec-13-en-7-yl (2E)-4-hydroxy-2-methylbut-2-enoate has been reported in Eupatorium lindleyanum with data available.

CAS Number	757202-11-2
PubChem CID	11417523
IUPAC Name	[(1R,2R,6R,7R,9R,12R,15S)-9-hydroxy-14-methyl-5-methylidene-4-oxo-3,11-dioxatetracyclo[7.5.1.02,6.012,15]pentadec-13-en-7-yl] (E)-4-hydroxy-2-methylbut-2-enoate
Molecular Formula	C20H24O7
Molecular Weight	376.4
XLogP	0.2
Topological Polar Surface Area	102
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	766

SMILES

CC1=C[C@@H]2[C@@H]3[C@H]1[C@@H]4[C@@H]([C@@H](C[C@@]3(CO2)O)OC(=O)/C(=C/CO)/C)C(=C)C(=O)O4

InChI

InChI=1S/C20H24O7/c1-9(4-5-21)18(22)26-13-7-20(24)8-25-12-6-10(2)14(16(12)20)17-15(13)11(3)19(23)27-17/h4,6,12-17,21,24H,3,5,7-8H2,1-2H3/b9-4+/t12-,13-,14+,15-,16-,17-,20+/m1/s1

InChIKey

QWNQZWRFKIHTPL-NPUYJLKLSA-N

Chemical Structure

2D Structure

CAS: 757202-11-2

CID: 11417523

Formula: C20H24O7

MW: 376.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	376.4
XLogP3	0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	376.15220310
Monoisotopic Mass	376.15220310
Topological Polar Surface Area	102 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	766
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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TBZ2611	Eupalinilide A
HFB20214-01	Eupalinilide-D
GTR19183510	Eupalinilide C
MBS5760359	Eupalinilide B
TBZ2614	Eupalinilide D

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