Benzoyloxypaeoniflorin

Datasheet MSDS
Catalog Number
ANC03331
Product Name
Benzoyloxypaeoniflorin
CAS Number
72896-40-3
IUPAC Name
[(1R,2S,3R,5R,6R,8S)-3-[(2S,3R,4S,5S,6R)-6-(benzoyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl 4-hydroxybenzoate
Synonyms
[[(1aR)-5bβ-[(4-Benzoyloxybenzoyloxy)methyl]-3aβ,5,5aβ,5b-tetrahydro-5β-hydroxy-2-methyl-2α,5α-methano-3,4-dioxa-1H-cyclobuta[cd]pentalen]-1aβ(2H)-yl]β-D-glucopyranoside; Benzoyloxypaeoniflori,oxybenzoyl-paeoniflorin; Benzoyloxypeoniflorin
Molecular Formula
C30H32O13
Molecular Weight
600.567
Appearance
Powder
Purity
>95%
Density
1.6±0.0g/cm3
SMILES
C[C@]12C[C@@]3([C@@H]4C[C@]1([C@@]4([C@H](O2)O3)COC(=O)C5=CC=C(C=C5)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C7=CC=CC=C7)O)O)O)O
InChI
InChI=1S/C30H32O13/c1-27-13-29(37)19-11-30(27,28(19,26(42-27)43-29)14-39-24(36)16-7-9-17(31)10-8-16)41-25-22(34)21(33)20(32)18(40-25)12-38-23(35)15-5-3-2-4-6-15/h2-10,18-22,25-26,31-34,37H,11-14H2,1H3/t18-,19-,20-,21+,22-,25+,26-,27+,28+,29-,30+/m1/s1
InChI Key
VIWQCBZFJFSCLC-HRCYFWENSA-N
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