Structure

Rutaevin

CAS
33237-37-5
Catalog Number
ACM33237375
Category
Other Products
Molecular Weight
486.51
Molecular Formula
C26H30O9

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Specification

Synonyms
RUTAEVIN;7-Deoxo-7β-hydroxy-6-oxolimonoic acid 3,19:16,17-dilactone
IUPAC Name
RUTAEVIN
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
InChI Key
YZMKFMIZNSOPSN-XGTMLCIVSA-N
Boiling Point
714.9ºC at 760 mmHg
Flash Point
386.2ºC
Density
1.44g/cm³
Appearance
Powder
Exact Mass
486.18900
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