CAS | 39011-91-1 |
Structure | |
Synonyms | [[(1aR)-3aβ,5,5aβ,5b-Tetrahydro-5β-hydroxy-5bβ-[[(4-hydroxybenzoyl)oxy]methyl]-2-methyl-2α,5-methano-3,4-dioxa-1H-cyclobuta[cd]pentalen]-1aβ(2H)-yl]β-D-glucopyranoside |
IUPAC Name | [(1R,2S,3R,5R,6R,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl 4-hydroxybenzoate |
Molecular Weight | 496.46 |
Molecular Formula | C23H28O12 |
Canonical 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)CO)O)O)O)O |
InChI | InChI=1S/C23H28O12/c1-20-8-22(30)13-6-23(20,33-18-16(28)15(27)14(26)12(7-24)32-18)21(13,19(34-20)35-22)9-31-17(29)10-2-4-11(25)5-3-10/h2-5,12-16,18-19,24-28,30H,6-9H2,1H3/t12-,13-,14-,15+,16-,18+,19-,20+,21+,22-,23+/m1/s1 |
InChI Key | FCHVXNVDFYXLIL-WRJNSLSBSA-N |
Boiling Point | 737.1±60.0 °C |
Melting Point | >162 °C (dec.) |
Purity | 98% |
Density | 1.71±0.1 g/ml |
pKa | 8.16±0.15 |
Appearance | Powder |
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