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Deslanoside

CAT: 0127-BUP20803-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP20803-03Size:10 mg
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CAS Number
17598-65-1
Synonyms
Desacetyllanatoside C , Deacetyllanatoside C
Purity
=98%
Smiles
C[C@@]12[C@](C)([C@]3([C@@](C)(CC1)CC[C@](C(OC)=O)(C)C3)[H])CC[C@]4(C)C2=CC(=O)C=5C4=CC(O)=C(O)C5O

Chemical Information

Deslanoside

Deslanoside is a cardenolide glycoside that is lanatoside C with the acetoxy group replaced by a hydroxy group. It has a role as a metabolite, an anti-arrhythmia drug, a cardiotonic drug and an EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor. It is a 12beta-hydroxy steroid, a 14beta-hydroxy steroid, a cardenolide glycoside and a tetrasaccharide derivative.

CAS Number17598-65-1
PubChem CID28620
IUPAC Name3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Molecular FormulaC47H74O19
Molecular Weight943.1
XLogP-0.3
Topological Polar Surface Area282
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count19
Rotatable Bond Count10
Heavy Atom Count66
Formal Charge0
Complexity1760
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]3C[C@H]([C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)O)O[C@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@@H]([C@@H]([C@H](O8)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O
InChI
InChI=1S/C47H74O19/c1-20-41(64-36-16-30(50)42(21(2)60-36)65-37-17-31(51)43(22(3)61-37)66-44-40(56)39(55)38(54)32(18-48)63-44)29(49)15-35(59-20)62-25-8-10-45(4)24(13-25)6-7-27-28(45)14-33(52)46(5)26(9-11-47(27,46)57)23-12-34(53)58-19-23/h12,20-22,24-33,35-44,48-52,54-57H,6-11,13-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44+,45+,46+,47+/m1/s1
InChIKey
OBATZBGFDSVCJD-LALPQLPRSA-N
Chemical Structure
2D Structure
2D structure of Deslanoside
CAS: 17598-65-1
CID: 28620
Formula: C47H74O19
MW: 943.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight943.1
XLogP3-0.3
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count19
Rotatable Bond Count10
Exact Mass942.48243013
Monoisotopic Mass942.48243013
Topological Polar Surface Area282 Ų
Heavy Atom Count66
Formal Charge0
Complexity1760
Isotope Atom Count0
Defined Atom Stereocenter Count26
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
AR-D06095-01Deslanoside
371362Deslanoside discontinued
HY-A0154RDeslanoside (Standard)
AR-D06098-01Deslanoside Oxidation Impurity
AR-D06096-01Deslanoside Hydrolysis Impurity
AR-D06097-01Deslanoside condensation and addition impurity

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