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YK-11
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$57.99$99.99
- Concentration
- 10 mg per mL
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| Molecular Formula | C25H34O6 |
| Molecular Weight | 430.5 |
| Monoisotopic Mass | 430.23553880 |
| Polar Area | 71.1 |
| Complexity | 860 |
| XLogP | 3.1 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Physical Appearance | Clear Liquid |
| Stability | Room Temperature |
| PubChem LCSS | YK-11 Laboratory Chemical Safety Summary |
| Property | Property Value |
|---|---|
| CID | 101524490 |
| CAS | 1370003-76-1 |
| InChI | InChI=1S/C25H34O6/c1-23-11-9-18-17-8-6-16(26)13-15(17)5-7-19(18)20(23)10-12-25(23)21(14-22(27)28-3)30-24(2, 29-4)31-25/h13-14, 17-20H, 5-12H2, 1-4H3/b21-14+/t17-, 18+, 19+, 20-, 23-, 24?, 25-/m0/s1 |
| InChIKey | KCQHQCDHFVGNMK-DEIKBOPOSA-N |
| Isomeric SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]24/C(=C\C(=O)OC)/OC(O4)(C)OC)CCC5=CC(=O)CC[C@H]35 |
| Canonical SMILES | CC12CCC3C(C1CCC24C(=CC(=O)OC)OC(O4)(C)OC)CCC5=CC(=O)CCC35 |
| IUPAC Name | methyl (2E)-2-[(8R, 9S, 10R, 13S, 14S, 17R)-2'-methoxy-2', 13-dimethyl-3-oxospiro[1, 2, 6, 7, 8, 9, 10, 11, 12, 14, 15, 16-dodecahydrocyclopenta[a]phenanthrene-17, 5'-1, 3-dioxolane]-4'-ylidene]acetate |
Generated by Extreme Peptide with Open Babel, version 2.3.1, http://openbabel.org (accessed May 20, 2024)
Interactive 3D representation of YK-11 (CID 101524490)
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