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Limonin 17-beta-D-glucopyranoside
[CAS# 123564-61-4]

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Identification
Name Limonin 17-beta-D-glucopyranoside
Synonyms Limonin 17-Beta-D-Glucopyranoside
Molecular Structure CAS#: 123564-61-4, Limonin 17-beta-D-glucopyranoside
Molecular Formula C32H42O14
Molecular Weight 650.68
CAS Registry Number 123564-61-4
SMILES C7=C(C(C5(C1(C(C(=O)O)O1)C3(C(C24C(OC(C2CC3=O)(C)C)CC(OC4)=O)CC5)C)C)OC6C(C(O)C(C(O6)CO)O)O)C=CO7
InChI 1S/C32H42O14/c1-28(2)17-9-18(34)30(4)16(31(17)13-42-20(35)10-19(31)45-28)5-7-29(3,32(30)25(46-32)26(39)40)24(14-6-8-41-12-14)44-27-23(38)22(37)21(36)15(11-33)43-27/h6,8,12,15-17,19,21-25,27,33,36-38H,5,7,9-11,13H2,1-4H3,(H,39,40)
InChIKey FYIKIBQJAJRKQM-UHFFFAOYSA-N
Properties
Density 1.515g/cm3 (Cal.)
Boiling point 866.773°C at 760 mmHg (Cal.)
Flash point 478.007°C (Cal.)
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