$25.00
| CAS No.: | 23180-57-6 |
| Molecular Formula | C₂₃H₂₈O₁₁ |
| Molecular Weight | 480.5g/mol |
| Purity | HPLC>98% |
| Chemical Family | Monoterpenoids |
| Weight |
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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 benzoate
InChI: InChI=1S/C23H28O11/c1-20-9-22(29)13-7-23(20,32-18-16(27)15(26)14(25)12(8-24)31-18)21(13,19(33-20)34-22)10-30-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27,29H,7-10H2,1H3/t12-,13-,14-,15+,16-,18+,19-,20+,21+,22-,23+/m1/s1
InChIKey: YKRGDOXKVOZESV-WRJNSLSBSA-N
Canonical SMILES: CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)CO)O)O)O)O
Isomeric SMILES: C[C@]12C[C@@]3([C@@H]4C[C@]1([C@@]4([C@H](O2)O3)COC(=O)C5=CC=CC=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O
Synonyms: Paeoniflorin; 23180-57-6; Peoniflorin; Paeonia moutan; NSC 178886; UNII-21AIQ4EV64; 21AIQ4EV64; CCRIS 6494; …
Botanical Source: Paeonia lactiflora Pall.
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