Determine the necessary mass, volume, or concentration for preparing a solution.
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(=O)OC1CC2C(C(=O)C=CC2(C3C1(C4=CC(=O)C(C4(CC3)C)C5=COC=C5)C)C)(C)C |
|---|---|
| IUPAC Name | [(5R,7R,9R,10R,13S,17R)-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-3,16-dioxo-6,7,9,11,12,17-hexahydro-5H-cyclopenta[a]phenanthren-7-yl] acetate |
| InChIKey | KWAMDQVQFVBEAU-BQDUOGPESA-N |
| INCHI | 1S/C28H34O5/c1-16(29)33-23-14-20-25(2,3)22(31)8-11-26(20,4)19-7-10-27(5)21(28(19,23)6)13-18(30)24(27)17-9-12-32-15-17/h8-9,11-13,15,19-20,23-24H,7,10,14H2,1-6H3/t19-,20+,23-,24-,26-,27-,28?/m1/s1 |
| Isomeric SMILES | CC(=O)O[C@@H]1C[C@@H]2[C@](C=CC(=O)C2(C)C)([C@@H]3C1(C4=CC(=O)[C@H]([C@@]4(CC3)C)C5=COC=C5)C)C |
| PubChem CID | 179475 |
| Molecular Weight | 450.57 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Flash Point(°F) | Not applicable |
|---|---|
| Flash Point(°C) | Not applicable |
| Molecular Weight | 450.600 g/mol |
| XLogP3 | 4.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 450.241 Da |
| Monoisotopic Mass | 450.241 Da |
| Topological Polar Surface Area | 73.600 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 975.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 7 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |