Spirost-5-en-3-yl benzoate
(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl) benzoate
Also Known As: Diosgenin benzoate|Spirost-5-en-3-yl benzoate #|(3alpha,25R)-Spirost-5-en-3-yl benzoate|[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl] benzoate
CAS: 4952-68-5
| Molecular Formula | C34H46O4 |
|---|---|
| Molecular Weight | 518.3396 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 518.3396 |
| Monoisotopic Mass | 518.3396 |
| Heavy Atoms | 38 |
| Complexity | 968.0 |
Chemical Identifiers
| CAS Number | 4952-68-5 |
|---|---|
| SMILES | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC(=O)C7=CC=CC=C7)C)C)C)OC1 |
| InChIKey | CWUJEAGCIAAOMQ-UHFFFAOYSA-N |
Product Overview
Spirost-5-en-3-yl benzoate (CAS 4952-68-5), with molecular formula C34H46O4 and molecular weight 518.3396 g/mol. IUPAC: (5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl) benzoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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