(3ß,5ß,16ß)-3-[(2,6-dideoxy-ß-D-ribo-hexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide
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Product Description
Product
(3ß,5ß,16ß)-3-[(2,6-dideoxy-ß-D-ribo-hexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide
CAS
545-27-7
Formula
C29H44O8
Synonym
Gitoroside; Gitoxigenin monodigitoxose; Gitoxigenin monodigitoxoside; (3beta,5beta,16beta)-3-((2,6-Dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14,16-dihydroxycard-20(22)-enolide; (3beta,5beta,16beta)-3-[(2,6-dideoxy-beta-D\-ribo-hexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide; 3-[3-(4,5-dihydroxy-6-methyl-oxan-2-yl)oxy-14,16-dihydroxy-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; 3-[3-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-14,16-dihydroxy-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; 3-[3-(4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-14,16-dihydroxy-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; 3ß-[(2,6-Dideoxy-ß-D-ribo-hexopyranosyl)oxy]-14,16ß-dihydroxy-5ß,14ß-card-20(22)-enolide; 5beta-Card-20(22)-enolide, 3beta,14,16beta-trihydroxy-, digitoxoside; Card-20(22)-enolide, 3-((2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14,16-dihydroxy-, (3beta,5beta,16beta)-; EINECS 208-887-8
Typical Product Specifications
EINECS
208-887-8
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]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)O)O)C)C)O)O
InChI
IQOYEMCASBGLJD-XQZIZVGLSA-N
InChIKey
1S/C29H44O8/c1-15-26(33)21(30)12-24(36-15)37-18-6-8-27(2)17(11-18)4-5-20-19(27)7-9-28(3)25(16-10-23(32)35-14-16)22(31)13-29(20,28)34/h10,15,17-22,24-26,30-31,33-34H,4-9,11-14H2,1-3H3/t15-,17-,18+,19+,20-,21+,22+,24+,25+,26-,27+,28-,29+/m1/s1
Henry's Law Constant
9.89E-17 atm-m3/mole
log P (octanol-water)
1.77
Atmospheric OH Rate Constant
1.35E-10 cm3/molecule-sec
Vapor Pressure
4.06E-20 mm Hg
Water solubility
16.2 mg/L
Class
(3ß,5ß,16ß)-3-[(2,6-dideoxy-ß-D-ribo-hexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide
Product Description
Product
(3ß,5ß,16ß)-3-[(2,6-dideoxy-ß-D-ribo-hexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide
CAS
545-27-7
Formula
C29H44O8
Synonym
Gitoroside; Gitoxigenin monodigitoxose; Gitoxigenin monodigitoxoside; (3beta,5beta,16beta)-3-((2,6-Dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14,16-dihydroxycard-20(22)-enolide; (3beta,5beta,16beta)-3-[(2,6-dideoxy-beta-D\-ribo-hexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide; 3-[3-(4,5-dihydroxy-6-methyl-oxan-2-yl)oxy-14,16-dihydroxy-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; 3-[3-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-14,16-dihydroxy-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; 3-[3-(4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-14,16-dihydroxy-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; 3ß-[(2,6-Dideoxy-ß-D-ribo-hexopyranosyl)oxy]-14,16ß-dihydroxy-5ß,14ß-card-20(22)-enolide; 5beta-Card-20(22)-enolide, 3beta,14,16beta-trihydroxy-, digitoxoside; Card-20(22)-enolide, 3-((2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14,16-dihydroxy-, (3beta,5beta,16beta)-; EINECS 208-887-8
Typical Product Specifications
EINECS
208-887-8
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]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)O)O)C)C)O)O
InChI
IQOYEMCASBGLJD-XQZIZVGLSA-N
InChIKey
1S/C29H44O8/c1-15-26(33)21(30)12-24(36-15)37-18-6-8-27(2)17(11-18)4-5-20-19(27)7-9-28(3)25(16-10-23(32)35-14-16)22(31)13-29(20,28)34/h10,15,17-22,24-26,30-31,33-34H,4-9,11-14H2,1-3H3/t15-,17-,18+,19+,20-,21+,22+,24+,25+,26-,27+,28-,29+/m1/s1
Henry's Law Constant
9.89E-17 atm-m3/mole
log P (octanol-water)
1.77
Atmospheric OH Rate Constant
1.35E-10 cm3/molecule-sec
Vapor Pressure
4.06E-20 mm Hg
Water solubility
16.2 mg/L
Class
