$220.00
| CAS No.: | 184288-35-5 |
| Molecular Formula | C₄₇H₇₂O₁₈ |
| Molecular Weight | 925.1g/mol |
| Purity | HPLC>98% |
| Chemical Family | Triterpenoids |
| Weight |
|---|
IUPAC Name: (2S)-2-[(3R,8S,9R,10R,13R,14S,16R,17R)-3-[(2S,3R,4S,5R)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-16-hydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-5-propan-2-ylfuran-3-one
InChI: InChI=1S/C47H72O18/c1-19(2)25-14-28(51)47(9,65-25)39-23(49)15-44(6)27-12-10-21-22(46(27,8)29(52)16-45(39,44)7)11-13-30(43(21,4)5)62-40-36(58)37(24(50)18-59-40)63-42-38(34(56)32(54)26(17-48)61-42)64-41-35(57)33(55)31(53)20(3)60-41/h10,14,19-20,22-24,26-27,30-42,48-50,53-58H,11-13,15-18H2,1-9H3/t20-,22+,23+,24+,26+,27-,30+,31-,32+,33+,34-,35+,36+,37-,38+,39-,40-,41-,42-,44-,45+,46-,47+/m0/s1
InChIKey: AJDSYFQMQGZVPS-TWNGIMQYSA-N
Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(COC(C3O)OC4CCC5C(=CCC6C5(C(=O)CC7(C6(CC(C7C8(C(=O)C=C(O8)C(C)C)C)O)C)C)C)C4(C)C)O)CO)O)O)O)O)O
Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3[C@@H](CO[C@H]([C@@H]3O)O[C@@H]4CC[C@@H]5C(=CC[C@@H]6[C@]5(C(=O)C[C@]7([C@]6(C[C@H]([C@@H]7[C@]8(C(=O)C=C(O8)C(C)C)C)O)C)C)C)C4(C)C)O)CO)O)O)O)O)O
Synonyms: Picfeltarraenin IV; 184288-35-5; (2S)-2-[(3R,8S,9R,10R,13R,14S,16R,17R)-3-[(2S,3R,4S,5R)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-16-hydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-5-propan-2-ylfuran-3-one; picfeltarracemin IV; CHEMBL505834; AKOS037515171; FS-7093; DA-76871
Botanical Source: Sophora flavescens Ait.
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