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Oleandrin

CAT: 0926-MO26544-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-MO26544-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
465-16-7
Synonyms
(3β,5β,16β) -16- (Acetyloxy) -3-[ (2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl) oxy]-14-hydroxycard-20 (22) -enolide; Neriolin; Corrigen
MDL Number
MFCD26960889
Smiles
C[C@H]1[C@@H] ([C@H] (C[C@@H] (O1) O[C@H]2CC[C@]3 ([C@@H] (C2) CC[C@@H]4[C@@H]3CC[C@]5 ([C@@]4 (C[C@@H] ([C@@H]5C6=CC (=O) OC6) OC (=O) C) O) C) C) OC) O
Molecular Formula
C32H48O9
Molecular Weight
576.72 g/mol
Controlled
No

Chemical Information

Oleandrin

Oleandrin is a steroid saponin that consists of oleandrigenin having a 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl residue attached to the oxygen function at position 3. It is a 14beta-hydroxy steroid, a cardenolide glycoside, a steroid ester and a steroid saponin. It is functionally related to an oleandrigenin.

CAS Number465-16-7
PubChem CID11541511
IUPAC Name[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
Molecular FormulaC32H48O9
Molecular Weight576.7
XLogP2.4
Topological Polar Surface Area121
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count41
Formal Charge0
Complexity1080
SMILES
C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC)O
InChI
InChI=1S/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17-,20+,21-,22-,23+,24-,25-,27-,28-,29-,30-,31+,32-/m0/s1
InChIKey
JLPDBLFIVFSOCC-XYXFTTADSA-N
Chemical Structure
2D Structure
2D structure of Oleandrin
CAS: 465-16-7
CID: 11541511
Formula: C32H48O9
MW: 576.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight576.7
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass576.32983310
Monoisotopic Mass576.32983310
Topological Polar Surface Area121 Ų
Heavy Atom Count41
Formal Charge0
Complexity1080
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3608564-01Oleandrin
A14651-100Oleandrin 100mg
A14651-25Oleandrin 25mg
A14651-5Oleandrin 5mg
A14651-50Oleandrin 50mg
A14651-10Oleandrin 10mg
HY-13719ROleandrin (Standard)
A14651-500Oleandrin 500mg

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