Cynarin

About This Item

Molecular Formula	C₂₅H₂₄O₁₂
CAS Number	30964-13-7

FC-0079458

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Properties

Chemical Identifiers

IUPAC Name	(1R,3R,4S,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid
SMILES	C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O
InChI Key	YDDUMTOHNYZQPO-RVXRWRFUSA-N
InChI	InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1

Physical Properties

Boiling Point	819.9±65.0 °C at 760 mmHg
Flash Point	278.1±27.8 °C
Density	1.6±0.1 g/cm3

Safety Information

Flash Point

278.1±27.8 °C

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.