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38642-49-8 Benzoylpaeoniflorin

product Name Benzoylpaeoniflorin
CAS No 38642-49-8
Synonyms beta-D-Glucopyranoside, 5b-((benzoyloxy)methyl)tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta(cd)pentalen-1a(2H)-yl, 6-benzoate, (1aR-(1aalpha,2beta,3aalpha,5alpha,5aalpha,5balpha))-; {(3S,5R,6S)-1-({[(4,5-dihydroxycyclohex-2-en-1-yl)carbonyl]oxy}methyl)-3-[(1aR)-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yloxy]-5,6-dihydroxy-4-methyl-2-oxabicyclo[2.2.1]hept-3-yl}methyl benzoate; [(1aR,2S,3aR,5R,5aR,5bS)-1a-[(6-O-benzoyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-methyltetrahydro-1H-2,5-methano-3,4-dioxacyclobuta[cd]pentalen-5b(3aH)-yl]methyl benzoate
Molecular Formula C30H32O12
Molecular Weight 584.5679
InChI InChI=1/C30H32O12/c1-27-14-29(36)19-12-30(27,28(19,26(41-27)42-29)15-38-24(35)17-10-6-3-7-11-17)40-25-22(33)21(32)20(31)18(39-25)13-37-23(34)16-8-4-2-5-9-16/h2-11,18-22,25-26,31-33,36H,12-15H2,1H3/t18-,19-,20-,21+,22-,25+,26-,27+,28+,29-,30+/m1/s1
Molecular Structure 38642-49-8 Benzoylpaeoniflorin
Density 1.566g/cm3
Boiling point 742.934°C at 760 mmHg
Refractive index 1.682
Flash point 243.058°C
Vapour Pressur 0mmHg at 25°C
Hazard Symbols
Risk Codes
Safety Description