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Digoxin EP Impurity H (Lanatoside C)

CAT: 1596-AR-D01848-01Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D01848-01Size:50 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17575-22-3
Synonyms
(2R,3R,4S,6S) -6- (((2R,3S,4S,6S) -6- (((2R,3S,4S,6R) -6- (((3S,5R,8R,9S,10S,12R,13S,14S,17R) -12,14-dihydroxy-10,13-dimethyl-17- (5-oxo-2,5-dihydrofuran-3-yl) hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl) oxy) -4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl) oxy) -4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl) oxy) -2-methyl-3- (((2S,3R,4S,5S,6R) -3,4,5-trihydroxy-6- (hydroxymethyl) tetrahydro-2H-pyran-2-yl) oxy) tetrahydro-2H-pyran-4-yl acetate; (3?,5?,12?) -3-[ (O-?-D-Glucopyranosyl- (14) -O-3-O-acetyl-2,6-dideoxy-?-D-ribo-hexopyranosyl- (14) -O-2,6-dideoxy-?-D-ribo-hexopyranosyl- (14) -2,6-dideoxy-?-D-ribo-hexopyranosyl) oxy]-12,14-dihydroxycard-20 (22) -enolide; Allocor; Cedilanid; Ceglunat; Isolanid; Isolanide; Lanatigen C; Lanimerck; NSC 119991; NSC 7533; Lanatoside C
Molecular Formula
C49H76O20
Molecular Weight
985.14
API Name
Digoxin

Chemical Information

Lanatoside C

lanatoside C has been reported in Digitalis lamarckii, Digitalis grandiflora, and other organisms with data available.

CAS Number17575-22-3
PubChem CID656630
IUPAC Name[(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,3S,4S,6R)-6-[[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-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-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate
Molecular FormulaC49H76O20
Molecular Weight985.1
XLogP0.2
Topological Polar Surface Area288
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count20
Rotatable Bond Count12
Heavy Atom Count69
Formal Charge0
Complexity1870
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)OC(=O)C)O
InChI
InChI=1S/C49H76O20/c1-21-43(67-38-17-32(53)44(22(2)62-38)68-39-18-33(64-24(4)51)45(23(3)63-39)69-46-42(58)41(57)40(56)34(19-50)66-46)31(52)16-37(61-21)65-27-9-11-47(5)26(14-27)7-8-29-30(47)15-35(54)48(6)28(10-12-49(29,48)59)25-13-36(55)60-20-25/h13,21-23,26-35,37-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29-,30+,31+,32+,33+,34-,35-,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48+,49+/m1/s1
InChIKey
JAYAGJDXJIDEKI-PTGWOZRBSA-N
Chemical Structure
2D Structure
2D structure of Lanatoside C
CAS: 17575-22-3
CID: 656630
Formula: C49H76O20
MW: 985.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight985.1
XLogP30.2
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count20
Rotatable Bond Count12
Exact Mass984.49299481
Monoisotopic Mass984.49299481
Topological Polar Surface Area288 Ų
Heavy Atom Count69
Formal Charge0
Complexity1870
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

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