Uzarigenin digitaloside

For Research Use Only.
Category
Steroids
Cat.No.
NP6044
CAS
61217-80-9
Product Name
Uzarigenin digitaloside
Structure

Product Details

Description
Uzarigenin digitaloside is a natural steroid found in the herbs of Nerium oleander.
Synonyms
3beta-[(6-Deoxy-3-O-methyl-beta-D-galactopyranosyl)oxy]-14-hydroxy-5alpha,14beta-card-20(22)-enolide
IUPAC Name
3-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-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
Molecular Weight
534.69
Molecular Formula
C30H46O8
Canonical SMILES
CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC)O
InChI
InChI=1S/C30H46O8/c1-16-24(32)26(35-4)25(33)27(37-16)38-19-7-10-28(2)18(14-19)5-6-22-21(28)8-11-29(3)20(9-12-30(22,29)34)17-13-23(31)36-15-17/h13,16,18-22,24-27,32-34H,5-12,14-15H2,1-4H3/t16-,18+,19+,20-,21+,22-,24+,25-,26+,27+,28+,29-,30+/m1/s1
InChIKey
VPUNMTHWNSJUOG-PSISMXLZSA-N
Boiling Point
700.1±60.0 °C(Predicted)
Purity
>95%
Density
1.27±0.1 g/cm3(Predicted)
Appearance
Powder
pKa
12.92±0.70(Predicted)
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