Rutaevin

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Catalog Number ACM33237375
CAS 33237-37-5
Structure {[CurrentData.Name]}
IUPAC Name RUTAEVIN
Synonyms RUTAEVIN;7-Deoxo-7β-hydroxy-6-oxolimonoic acid 3,19:16,17-dilactone
Molecular Weight 486.51
Molecular Formula C26H30O9
Canonical SMILES CC1(C2C(=O)C(C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=COC=C7)C)C)O)C
Inchi InChI=1S/C26H30O9/c1-22(2)17-16(28)18(29)24(4)13(25(17)11-32-15(27)9-14(25)34-22)5-7-23(3)19(12-6-8-31-10-12)33-21(30)20-26(23,24)35-20/h6,8,10,13-14,17-20,29H,5,7,9,11H2,1-4H3/t13-,14-,17-,18-,19-,20+,23-,24-,25-,26+/m0/s1
InChIKey YZMKFMIZNSOPSN-XGTMLCIVSA-N
Boiling Point 714.9ºC at 760 mmHg
Flash Point 386.2ºC
Purity 98%
Density 1.44g/cm³
Appearance Powder

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