$260.00
| CAS No.: | 290809-29-9 |
| Molecular Formula | C₅₂H₈₂O₂₁ |
| Molecular Weight | 1043.2g/mol |
| Purity | HPLC>98% |
| Chemical Family | Terpenoids |
| Weight |
|---|
IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(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-6a,6b,9,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
InChI: InChI=1S/C52H82O21/c1-22-10-15-52(47(65)73-45-39(63)36(60)33(57)27(19-53)68-45)17-16-50(6)24(25(52)18-22)8-9-30-49(5)13-12-31(48(3,4)29(49)11-14-51(30,50)7)70-43-40(64)41(26(55)21-66-43)71-46-42(37(61)34(58)28(20-54)69-46)72-44-38(62)35(59)32(56)23(2)67-44/h8,23,25-46,53-64H,1,9-21H2,2-7H3/t23-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,36-,37-,38+,39+,40+,41-,42+,43-,44-,45-,46-,49-,50+,51+,52-/m0/s1
InChIKey: JYWXPMGCCNBCKM-NTIQDITDSA-N
Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(COC(C3O)OC4CCC5(C(C4(C)C)CCC6(C5CC=C7C6(CCC8(C7CC(=C)CC8)C(=O)OC9C(C(C(C(O9)CO)O)O)O)C)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@]5([C@H](C4(C)C)CC[C@@]6([C@@H]5CC=C7[C@]6(CC[C@@]8([C@H]7CC(=C)CC8)C(=O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)C)C)C)O)CO)O)O)O)O)O
Synonyms: Eupteleasaponin I; 290809-29-9; HY-N5095; AKOS040760394; FS-7176; DA-63330; CS-0032414
Botanical Source:
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