Name: Digitoxin
Brand: Dr. Ehrenstorfer
SKU: DRE-C12633800

Product Code

DRE-C12633800

CAS Number

71-63-6

Product Format

Neat

Lot Number

G1519124

Expiry

2027-05-15

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

Product Type

Native/Parent

Alternate CAS Number

11054-89-0; 23394-08-3

Price and availability

48-hour USA dispatch time

Freight restricted.

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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

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

+4°C

Shipping Temperature

Room Temperature

Country of Origin

GERMANY

Tariff Code

29389010

Product Format

Neat

Product citations

Why work with us?

Since 1975, Dr. Ehrenstorfer has led the way in producing pesticide reference standards. Today, our portfolio is constantly expanding to adapt to changing regulations and technology, as we support your need for high-quality reference materials for food and environmental analysis.

We are passionate about supporting your science for a safer world. Our products are produced to the highest quality, with all analytical measurements performed under our ISO/IEC 17025 scope of accreditation and a leading product range manufactured according to our ISO 17034 accreditation. We use the most advanced analytical techniques to characterise our reference materials, so that you can rely on the scientific integrity of the data contained in your Certificate of Analysis.

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