Digitoxin 100 µg/mL in Acetonitrile
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- structure.search.product.name Digitoxin 100 µg/mL in Acetonitrile
- Product Code: DRE-A12633800AL-100
- CAS Number: 71-63-6
- Brand: Dr. Ehrenstorfer
Product Overview
Product Code
DRE-A12633800AL-100
CAS Number
Product Format
Single Solution
Solvent
Acetonitrile
Molecular Formula
C41 H64 O13
Molecular Weight
764.94
Product Categories
Dr. Ehrenstorfer, Additional pharmaceutical and veterinary compounds and metabolites, Additional pharmaceutical and veterinary compounds and metabolites
Alternate CAS Number
Documentation
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Product Information
Analyte Data
Analyte Name
Digitoxin
CAS Number
71-63-6
Molecular Formula
C41 H64 O13
Molecular Weight
764.94
Measured Value
100.0 µg/mL
Accurate Mass
764.4347
SMILES
C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4)O[C@@H]3C)O[C@@H]2C
InChI
InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1
IUPAC
3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-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
Alternate CAS Number
11054-89-0; 23394-08-3
Product Data
Storage Temperature
-18°C
Shipping Temperature
Room Temperature
Country of Origin
UNITED STATES
Product Format
Single Solution
Solvent
Acetonitrile
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