(3ß,5ß)-3-[(6-deoxy-3-O-methyl-a-L-glucopyranosyl)oxy]-14-hydroxy-19-oxocard-20(22)-enolide
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Product Description
Product
(3ß,5ß)-3-[(6-deoxy-3-O-methyl-a-L-glucopyranosyl)oxy]-14-hydroxy-19-oxocard-20(22)-enolide
CAS
1182-87-2
Formula
C30H44O9
Synonym
(22)-enolide; (3beta,5beta)-3-((6-Deoxy-3-O-methyl-alpha-L -glucopyranosyl)oxy)-14-hydroxy-19-oxocard-20(22)-enolide; (3beta,5beta)-3-[(6-deoxy-3-O-methyl-alpha-L\-glucopyranosyl)oxy]-14-hydroxy-19-oxocard-20(22)-enolide; (3ß,5ß)-3-(6-Deoxy-3-O-methyl-a-L-glucopyranosyl]oxyl)-14-hydroxy-19-oxocard-20(22)-enolide; 3-((6-Deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxy-19-oxo-card-20(22)-enolide; 3ß-[(6-Deoxy-3-O-methyl-a-L-glucopyranosyl)oxy]-14-hydroxy-19-oxo-5ß,14ß-card-20(22)-enolide; Cannogenin alpha-L-thevetoside; Cannogenin a-L-thevetoside; Card-20(22)-enolide, 3-((6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxy-19-oxo-, (3-beta,5-beta)-; EINECS 214-659-9; Encordin; Peruvosid; Peruvoside; PERUVOSIDE FROM THEVETIA NERIIFOLIA; PERUVOSIDE(RG); UNII-CT36KGC6A6
Typical Product Specifications
Molecular weight
548.66
EINECS
214-659-9
SMILES
C1[C@@]2([C@@H]3[C@@H]([C@@]4([C@]([C@@H](C=5COC(C5)=O)CC4)(C)CC3)O)CC[C@@H]2C[C@H](O[C@@H]2[C@@H]([C@H]([C@H](O)[C@@H](O2)C)OC)O)C1)C=O
InChI
PMTSPAGBAFCORP-HBUONDEYSA-N
InChIKey
1S/C30H44O9/c1-16-24(33)26(36-3)25(34)27(38-16)39-19-6-10-29(15-31)18(13-19)4-5-22-21(29)7-9-28(2)20(8-11-30(22,28)35)17-12-23(32)37-14-17/h12,15-16,18-22,24-27,33-35H,4-11,13-14H2,1-3H3/t16-,18+,19-,20+,21-,22+,24-,25-,26+,27-,28+,29+,30-/m0/s1
log P (octanol-water)
1.05
Melting Point
162.5 ° C
Water solubility
400 mg/L
Henry's Law Constant
2.20E-20 atm-m3/mole
Atmospheric OH Rate Constant
1.86E-10 cm3/molecule-sec
Vapor Pressure
1.16E-20 mm Hg
Class
(3ß,5ß)-3-[(6-deoxy-3-O-methyl-a-L-glucopyranosyl)oxy]-14-hydroxy-19-oxocard-20(22)-enolide
Product Description
Product
(3ß,5ß)-3-[(6-deoxy-3-O-methyl-a-L-glucopyranosyl)oxy]-14-hydroxy-19-oxocard-20(22)-enolide
CAS
1182-87-2
Formula
C30H44O9
Synonym
(22)-enolide; (3beta,5beta)-3-((6-Deoxy-3-O-methyl-alpha-L -glucopyranosyl)oxy)-14-hydroxy-19-oxocard-20(22)-enolide; (3beta,5beta)-3-[(6-deoxy-3-O-methyl-alpha-L\-glucopyranosyl)oxy]-14-hydroxy-19-oxocard-20(22)-enolide; (3ß,5ß)-3-(6-Deoxy-3-O-methyl-a-L-glucopyranosyl]oxyl)-14-hydroxy-19-oxocard-20(22)-enolide; 3-((6-Deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxy-19-oxo-card-20(22)-enolide; 3ß-[(6-Deoxy-3-O-methyl-a-L-glucopyranosyl)oxy]-14-hydroxy-19-oxo-5ß,14ß-card-20(22)-enolide; Cannogenin alpha-L-thevetoside; Cannogenin a-L-thevetoside; Card-20(22)-enolide, 3-((6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxy-19-oxo-, (3-beta,5-beta)-; EINECS 214-659-9; Encordin; Peruvosid; Peruvoside; PERUVOSIDE FROM THEVETIA NERIIFOLIA; PERUVOSIDE(RG); UNII-CT36KGC6A6
Typical Product Specifications
Molecular weight
548.66
EINECS
214-659-9
SMILES
C1[C@@]2([C@@H]3[C@@H]([C@@]4([C@]([C@@H](C=5COC(C5)=O)CC4)(C)CC3)O)CC[C@@H]2C[C@H](O[C@@H]2[C@@H]([C@H]([C@H](O)[C@@H](O2)C)OC)O)C1)C=O
InChI
PMTSPAGBAFCORP-HBUONDEYSA-N
InChIKey
1S/C30H44O9/c1-16-24(33)26(36-3)25(34)27(38-16)39-19-6-10-29(15-31)18(13-19)4-5-22-21(29)7-9-28(2)20(8-11-30(22,28)35)17-12-23(32)37-14-17/h12,15-16,18-22,24-27,33-35H,4-11,13-14H2,1-3H3/t16-,18+,19-,20+,21-,22+,24-,25-,26+,27-,28+,29+,30-/m0/s1
log P (octanol-water)
1.05
Melting Point
162.5 ° C
Water solubility
400 mg/L
Henry's Law Constant
2.20E-20 atm-m3/mole
Atmospheric OH Rate Constant
1.86E-10 cm3/molecule-sec
Vapor Pressure
1.16E-20 mm Hg
Class
