Methylepoxyproscillaridin

CAT: 0013-GTR19193702-01Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0013-GTR19193702-01Size:25 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

Description

Methylepoxyproscillaridin is a research-grade semisynthetic cardiac glycoside. It is used in pharmacological studies to investigate Na+/K+-ATPase inhibition and its effects on cardiac contractility, primarily in in vitro biochemical and cellular assays.

CAS Number

116387-44-1

Smiles

C[C@@]12C3 (C (O3) ([C@@H] (O[C@H]4[C@H] (O) [C@H] (OC) [C@@H] (O) [C@H] (C) O4) CC1) [H]) CC[C@@]5 ([C@@]2 (CC[C@@]6 (C) [C@]5 (O) CC[C@@H]6C=7C=CC (=O) OC7) [H]) [H]

Molecular Formula

C31H44O9

Molecular Weight

560.68

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

(3beta)-3-((6-Deoxy-3-O-methyl-alpha-L-mannopyranosyl)oxy)-4,5-epoxy-14-hydroxybufa-20,22-dienolide

CAS Number	116387-44-1
PubChem CID	21155715
IUPAC Name	5-[(1S,2R,5S,11R,12S,15R,16R)-5-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-12-hydroxy-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-15-yl]pyran-2-one
Molecular Formula	C31H44O9
Molecular Weight	560.7
XLogP	1.9
Topological Polar Surface Area	127
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Heavy Atom Count	40
Formal Charge	0
Complexity	1120

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CCC36C2O6)O)C7=COC(=O)C=C7)C)C)O)OC)O

InChI

InChI=1S/C31H44O9/c1-16-23(33)25(36-4)24(34)27(38-16)39-21-10-12-29(3)19-7-11-28(2)18(17-5-6-22(32)37-15-17)8-13-30(28,35)20(19)9-14-31(29)26(21)40-31/h5-6,15-16,18-21,23-27,33-35H,7-14H2,1-4H3/t16-,18+,19-,20+,21-,23-,24+,25+,26?,27-,28+,29+,30-,31?/m0/s1

InChIKey

ZXTOHKKHNURMFY-FWYUESJRSA-N

Chemical Structure

2D Structure

CAS: 116387-44-1

CID: 21155715

Formula: C31H44O9

MW: 560.7

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	560.7
XLogP3	1.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Exact Mass	560.29853298
Monoisotopic Mass	560.29853298
Topological Polar Surface Area	127 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	1120
Isotope Atom Count	0
Defined Atom Stereocenter Count	12
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
T33352-01	Methylepoxyproscillaridin

Methylepoxyproscillaridin

Chemical Information

Alternative Products

Popular Products