Aucubin
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Product Description
Product
Aucubin
CAS
479-98-1
Formula
C15H22O9
Synonym
Aucubin; Aucubosid; AUCUBOSIDE; B-D-GLUCOPYRANOSIDE, (1S,4AR,5S,7AS)-1,4A,5,7A-TETRAHYDRO-5-HYDROXY-7-(HYDROXYMETHYL)CYCLOPENTA[C]PYRAN-1-YL; EINECS 207-540-8; NSC 407293; RHINANTHIN; UNII-2G52GS8UML; (1S-(1alpha,4aalpha,5alpha,7aalpha))-1,4a,5,7a-Tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta(c)pyran-1-yl-beta-D-glucopyranoside; (2S,3R,4S,5S,6R)-2-{[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxyMethyl)-1H,4aH,5H,7aH-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxyMethyl)oxane-3,4,5-triol; [1S-(1alpha,4aalpha,5alpha,7aalpha)]-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl-beta-D-glucopyranoside; 1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl-beta-D-glucopyranoside; 1,4a,5,7a-Tetrahydro-5-hydroxy-7-hydroxymethylcyclopenta(c)pyran-1-yl-beta-D-glucopyranoside
Typical Product Specifications
Molecular weight
346.33
EINECS
207-540-8
SMILES
O[C@@H]1C=C([C@H]2[C@@H](OC=C[C@@H]12)O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)CO
InChI
RJWJHRPNHPHBRN-FKVJWERZSA-N
InChIKey
1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1
log P (octanol-water)
-3.490
Atmospheric OH Rate Constant
2.44E-10 cm3/molecule-sec
Water solubility
3.56E+05 mg/L
Alpha
D21 -163.1° (c = 1.6)
Storage Temperature
2-8°C
Melting Point
181°
Class
Aucubin
Product Description
Product
Aucubin
CAS
479-98-1
Formula
C15H22O9
Synonym
Aucubin; Aucubosid; AUCUBOSIDE; B-D-GLUCOPYRANOSIDE, (1S,4AR,5S,7AS)-1,4A,5,7A-TETRAHYDRO-5-HYDROXY-7-(HYDROXYMETHYL)CYCLOPENTA[C]PYRAN-1-YL; EINECS 207-540-8; NSC 407293; RHINANTHIN; UNII-2G52GS8UML; (1S-(1alpha,4aalpha,5alpha,7aalpha))-1,4a,5,7a-Tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta(c)pyran-1-yl-beta-D-glucopyranoside; (2S,3R,4S,5S,6R)-2-{[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxyMethyl)-1H,4aH,5H,7aH-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxyMethyl)oxane-3,4,5-triol; [1S-(1alpha,4aalpha,5alpha,7aalpha)]-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl-beta-D-glucopyranoside; 1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl-beta-D-glucopyranoside; 1,4a,5,7a-Tetrahydro-5-hydroxy-7-hydroxymethylcyclopenta(c)pyran-1-yl-beta-D-glucopyranoside
Typical Product Specifications
Molecular weight
346.33
EINECS
207-540-8
SMILES
O[C@@H]1C=C([C@H]2[C@@H](OC=C[C@@H]12)O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)CO
InChI
RJWJHRPNHPHBRN-FKVJWERZSA-N
InChIKey
1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1
log P (octanol-water)
-3.490
Atmospheric OH Rate Constant
2.44E-10 cm3/molecule-sec
Water solubility
3.56E+05 mg/L
Alpha
D21 -163.1° (c = 1.6)
Storage Temperature
2-8°C
Melting Point
181°
Class
