Cornin
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Product Description
Product
Cornin
CAS
548-37-8
Formula
C17H24O10
Synonym
VERBENALIN; CORNIN; Cornin (glycoside); Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-5-oxo-, methyl ester, (1S-(1alpha,4aalpha,7alpha,7aalpha))- (9CI); Cyclopenta(c)pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-1-(beta-D-glucopyranosyloxy)-7-methyl-5-oxo-, methyl ester, (1S-(1-alpha,4a-alpha,7-alapha,7a-alpha))-; cyclopenta(c)pyran-4-carboxylicacid,1,4a,5,6,7,7a-hexahydro-1-(beta-d-glucopy; Glucopyranoside, verbenalol, beta-D-; Methyl (1S,4aS,7S,7aR)-7-Methyl-5-oxo-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyMethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylate; NSC 118055; ranosyloxy)-7-methyl-5-oxo-,methylester,(1s-(1-alpha,4a-alpha,7-alapha,7a-a; UNII-71B68181Z6; Verbenalin (6CI,7CI,8CI); Verbenaline; Verbenalinp; Verbenalol, beta-D-glucopyranoside; Verbenaloside
Typical Product Specifications
Molecular weight
388.37
SMILES
C1(=CO[C@@H](O[C@H]2[C@@H]([C@H]([C@H](O)[C@H](O2)CO)O)O)[C@H]2[C@@H]1C(C[C@@H]2C)=O)C(=O)OC
InChI
HLXRWTJXGMHOFN-XJSNKYLASA-N
InChIKey
1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3/t6-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1
log P (octanol-water)
-2.860
Atmospheric OH Rate Constant
1.26E-10 cm3/molecule-sec
Water solubility
2.11E+05 mg/L
Class
Cornin
Product Description
Product
Cornin
CAS
548-37-8
Formula
C17H24O10
Synonym
VERBENALIN; CORNIN; Cornin (glycoside); Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-5-oxo-, methyl ester, (1S-(1alpha,4aalpha,7alpha,7aalpha))- (9CI); Cyclopenta(c)pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-1-(beta-D-glucopyranosyloxy)-7-methyl-5-oxo-, methyl ester, (1S-(1-alpha,4a-alpha,7-alapha,7a-alpha))-; cyclopenta(c)pyran-4-carboxylicacid,1,4a,5,6,7,7a-hexahydro-1-(beta-d-glucopy; Glucopyranoside, verbenalol, beta-D-; Methyl (1S,4aS,7S,7aR)-7-Methyl-5-oxo-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyMethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylate; NSC 118055; ranosyloxy)-7-methyl-5-oxo-,methylester,(1s-(1-alpha,4a-alpha,7-alapha,7a-a; UNII-71B68181Z6; Verbenalin (6CI,7CI,8CI); Verbenaline; Verbenalinp; Verbenalol, beta-D-glucopyranoside; Verbenaloside
Typical Product Specifications
Molecular weight
388.37
SMILES
C1(=CO[C@@H](O[C@H]2[C@@H]([C@H]([C@H](O)[C@H](O2)CO)O)O)[C@H]2[C@@H]1C(C[C@@H]2C)=O)C(=O)OC
InChI
HLXRWTJXGMHOFN-XJSNKYLASA-N
InChIKey
1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3/t6-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1
log P (octanol-water)
-2.860
Atmospheric OH Rate Constant
1.26E-10 cm3/molecule-sec
Water solubility
2.11E+05 mg/L
Class
