(3ß,5ß)-3-[(2,6-dideoxy-ß-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
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Product Description
Product
(3ß,5ß)-3-[(2,6-dideoxy-ß-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
CAS
630-64-8
Formula
C29H42O9
Synonym
(3beta,5beta)-3-((2,6-Dideoxy-beta-D -ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide; ALLEOSIDE A; Card-20(22)-enolide, 3-((2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3-beta,5-beta)-; card-20(22)-enolide,3-((2,6-dideoxy-beta-d-ribo-hexopyranosyl)oxy)-5,14-dihydr; deglucoerysimoside; EINECS 211-140-9; erizimin; Erysimin; Erysimotoxin; Helveticoside; HELVETICOSIDE HYDRATE; Helvetikosid; Helvetikosid [German]; Strophanthidin 3-beta-digitoxoside; Strophanthidin-beta-D-digitoxosid; Strophanthidin-beta-D-digitoxosid [German]; UNII-52OAE3C457
Typical Product Specifications
Molecular weight
534.64
EINECS
211-140-9
SMILES
C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6
InChI
QBILRDAMJUPXCX-AGAUEGNUSA-N
InChIKey
1S/C29H42O9/c1-16-25(33)22(31)12-24(37-16)38-18-3-8-27(15-30)20-4-7-26(2)19(17-11-23(32)36-14-17)6-10-29(26,35)21(20)5-9-28(27,34)13-18/h11,15-16,18-22,24-25,31,33-35H,3-10,12-14H2,1-2H3/t16-,18+,19-,20+,21-,22+,24+,25-,26-,27+,28+,29+/m1/s1
Vapor Pressure
9.01E-21 mm Hg
log P (octanol-water)
0.3
Water solubility
238 mg/L
Atmospheric OH Rate Constant
1.63E-10 cm3/molecule-sec
Henry's Law Constant
5.82E-20 atm-m3/mole
Class
(3ß,5ß)-3-[(2,6-dideoxy-ß-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
Product Description
Product
(3ß,5ß)-3-[(2,6-dideoxy-ß-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
CAS
630-64-8
Formula
C29H42O9
Synonym
(3beta,5beta)-3-((2,6-Dideoxy-beta-D -ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide; ALLEOSIDE A; Card-20(22)-enolide, 3-((2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3-beta,5-beta)-; card-20(22)-enolide,3-((2,6-dideoxy-beta-d-ribo-hexopyranosyl)oxy)-5,14-dihydr; deglucoerysimoside; EINECS 211-140-9; erizimin; Erysimin; Erysimotoxin; Helveticoside; HELVETICOSIDE HYDRATE; Helvetikosid; Helvetikosid [German]; Strophanthidin 3-beta-digitoxoside; Strophanthidin-beta-D-digitoxosid; Strophanthidin-beta-D-digitoxosid [German]; UNII-52OAE3C457
Typical Product Specifications
Molecular weight
534.64
EINECS
211-140-9
SMILES
C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6
InChI
QBILRDAMJUPXCX-AGAUEGNUSA-N
InChIKey
1S/C29H42O9/c1-16-25(33)22(31)12-24(37-16)38-18-3-8-27(15-30)20-4-7-26(2)19(17-11-23(32)36-14-17)6-10-29(26,35)21(20)5-9-28(27,34)13-18/h11,15-16,18-22,24-25,31,33-35H,3-10,12-14H2,1-2H3/t16-,18+,19-,20+,21-,22+,24+,25-,26-,27+,28+,29+/m1/s1
Vapor Pressure
9.01E-21 mm Hg
log P (octanol-water)
0.3
Water solubility
238 mg/L
Atmospheric OH Rate Constant
1.63E-10 cm3/molecule-sec
Henry's Law Constant
5.82E-20 atm-m3/mole
Class
