(5ß)-3ß-[(6-deoxy-3-O-methyl-a-L-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
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Product Description
Product
(5ß)-3ß-[(6-deoxy-3-O-methyl-a-L-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
CAS
466-07-9
Formula
C30H46O8
Synonym
(17R)-3ß-(3-O-Methyl-6-deoxy-a-L-glucopyranosyloxy)-14-hydroxy-5ß,14ß-carda-20(22)-enolide; (3-beta,5-beta)-3-[(6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolide; (5beta)-3beta-((6-Deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxycard-20(22)-enolide; (5beta)-3beta-[(6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolide; 14-Hydroxy-5ß-card-20(22)-enolide 3-(6-deoxy-3-O-methyl-a-L-glucopyranoside), 3-([6-Deoxy-3-O-methyl-a-L-glucopyranosyl]oxy)-14-hydroxy-5ß-card-20(22)-enolide]; 17a-Neriifolin; 4-18-00-01486 (Beilstein Handbook Reference); 5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-3-O-methyl-beta-L-glucopyranosyl)oxy)-14-hydroxy-; BRN 0100752; Digitoxigenin + thevetose; Digitoxigenin + thevetose [German]; digitoxigenin+thevetose; EINECS 207-372-5; NERIIFOLIN; NSC 123976; UNII-5RD2ADS9WV; xy)-14-hydroxy-
Typical Product Specifications
Molecular weight
534.68
EINECS
207-372-5
SMILES
C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)OC)O
InChI
VPUNMTHWNSJUOG-BAOINKAISA-N
InChIKey
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-/m0/s1
Melting Point
221 ° C
log P (octanol-water)
2.1
Water solubility
6.890 mg/L
Henry's Law Constant
3.17E-17 atm-m3/mole
Vapor Pressure
1.81E-19 mm Hg
Atmospheric OH Rate Constant
1.47E-10 cm3/molecule-sec
Class
(5ß)-3ß-[(6-deoxy-3-O-methyl-a-L-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
Product Description
Product
(5ß)-3ß-[(6-deoxy-3-O-methyl-a-L-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
CAS
466-07-9
Formula
C30H46O8
Synonym
(17R)-3ß-(3-O-Methyl-6-deoxy-a-L-glucopyranosyloxy)-14-hydroxy-5ß,14ß-carda-20(22)-enolide; (3-beta,5-beta)-3-[(6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolide; (5beta)-3beta-((6-Deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxycard-20(22)-enolide; (5beta)-3beta-[(6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolide; 14-Hydroxy-5ß-card-20(22)-enolide 3-(6-deoxy-3-O-methyl-a-L-glucopyranoside), 3-([6-Deoxy-3-O-methyl-a-L-glucopyranosyl]oxy)-14-hydroxy-5ß-card-20(22)-enolide]; 17a-Neriifolin; 4-18-00-01486 (Beilstein Handbook Reference); 5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-3-O-methyl-beta-L-glucopyranosyl)oxy)-14-hydroxy-; BRN 0100752; Digitoxigenin + thevetose; Digitoxigenin + thevetose [German]; digitoxigenin+thevetose; EINECS 207-372-5; NERIIFOLIN; NSC 123976; UNII-5RD2ADS9WV; xy)-14-hydroxy-
Typical Product Specifications
Molecular weight
534.68
EINECS
207-372-5
SMILES
C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)OC)O
InChI
VPUNMTHWNSJUOG-BAOINKAISA-N
InChIKey
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-/m0/s1
Melting Point
221 ° C
log P (octanol-water)
2.1
Water solubility
6.890 mg/L
Henry's Law Constant
3.17E-17 atm-m3/mole
Vapor Pressure
1.81E-19 mm Hg
Atmospheric OH Rate Constant
1.47E-10 cm3/molecule-sec
Class
