| Compound Information | |
|---|---|
| ID | 731 |
| TrivialName | Sanchinoside B1 |
| Type | PPT |
| MF | C₃₆H₆₂O₉ |
| MolecularWeight | 638.883 |
| IUPACName | 2-[[3,12-dihydroxy-17-[(E)-6-hydroxy-6-methylhept-2-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| m/z | NT |
| Retention Time | NT |
| CCS | NT |
| Adducts | NT |
| Isomeric SMILES | C[C@]12[C@]3(C)C[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C5C(C)(C)[C@@H](O)CC[C@]5(C)C3C[C@@H](O)C1C(/C(C)=C\CCC(C)(O)C)CC2 |
| Canonical SMILES | CC(=CCCC(C)(C)O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C |
| Source | PG |
| Functions | NT |
| Year | 1997 |
| References | |
| Structure |
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