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| CAS No.: | 1193476-53-7 |
| Molecular Formula | C₅₁H₈₂O₂₂ |
| Molecular Weight | 1047.20 g/mol |
| Purity | HPLC≥98% |
| Chemical Family | Other Compounds |
| Weight |
|---|
* Warning: BIORLAB’s Natural Compounds are for laboratory research purposes only.
IUPAC Name: (1R,2S,3R,4R,5R)-5-[(2R,3R,4S,5R,6R)-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(1S,2S,4S,8S,9S,12S,13R,16S)-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,18-dien-16-yl]oxy]oxan-3-yl]oxycyclohexane-1,2,3,4-tetrol
InChI: InChI=1S/C51H82O22/c1-20(19-66-47-42(63)40(61)37(58)31(16-52)70-47)5-8-28-21(2)34-29(68-28)14-26-24-7-6-22-13-23(9-11-50(22,3)25(24)10-12-51(26,34)4)67-49-46(69-30-15-27(55)35(56)39(60)36(30)57)44(65)45(33(18-54)72-49)73-48-43(64)41(62)38(59)32(17-53)71-48/h6,20,23-27,29-49,52-65H,5,7-19H2,1-4H3/t20-,23+,24-,25+,26+,27-,29+,30-,31-,32-,33-,34+,35+,36+,37-,38-,39-,40+,41+,42-,43-,44+,45+,46-,47-,48+,49-,50+,51+/m1/s1
InChIKey: IQNADYCHEXSSOU-RUYWJZBZSA-N
SMILES: CC1=C(O[C@@H]2[C@H]1[C@]3(CC[C@H]4[C@H]([C@@H]3C2)CC=C5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@@H]8C[C@H]([C@@H]([C@H]([C@H]8O)O)O)O)C)C)CC[C@@H](C)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O
Synonyms: Ceparoside C; 1193476-53-7
Botanical Source:
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