$96.00
| CAS No.: | 402513-88-6 |
| Molecular Formula | C₃₇H₅₈O₁₀ |
| Molecular Weight | 662.8g/mol |
| Purity | HPLC>98% |
| Chemical Family | Triterpenoids |
| Weight |
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IUPAC Name: [(1R,3R)-1-[(2S)-3,3-dimethyloxiran-2-yl]-3-[(1S,3R,6S,8R,11R,12S,13R,15R,16R)-13-hydroxy-7,7,12,16-tetramethyl-14-oxo-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]butyl] acetate
InChI: InChI=1S/C37H58O10/c1-18(15-21(45-19(2)38)30-33(5,6)47-30)25-27(41)29(43)35(8)23-10-9-22-32(3,4)24(46-31-28(42)26(40)20(39)16-44-31)11-12-36(22)17-37(23,36)14-13-34(25,35)7/h18,20-26,28-31,39-40,42-43H,9-17H2,1-8H3/t18-,20+,21-,22+,23+,24+,25+,26+,28-,29+,30+,31+,34-,35-,36-,37+/m1/s1
InChIKey: IHEJMZHKJYHVFF-NETQQFODSA-N
Canonical SMILES: CC(CC(C1C(O1)(C)C)OC(=O)C)C2C(=O)C(C3(C2(CCC45C3CCC6C4(C5)CCC(C6(C)C)OC7C(C(C(CO7)O)O)O)C)C)O
Isomeric SMILES: C[C@H](C[C@H]([C@H]1C(O1)(C)C)OC(=O)C)[C@H]2C(=O)[C@@H]([C@@]3([C@@]2(CC[C@]45[C@H]3CC[C@@H]6[C@]4(C5)CC[C@@H](C6(C)C)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O)O)C)C)O
Synonyms: 402513-88-6; Acetylcimigenol arabinoside; Acetylcimigenol-3-O-alpha-L-arabinopyranside; Acetylcimigenol 3-O-alpha-L-arabinopyranside; 23-O-Acetylshengmanol-3-o-alpha-L-arabinoside; Acetylshengmanol arabinoside; UNII-408998370C; 23-O-Acetylshengmanol-3-o-alpha-L-arabinoside, (-)-; …
Botanical Source: Cimicifugae rhizoma
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