NSC104119
methyl (E)-3-(7-hydroxy-10,14-dimethyl-18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icos-16-en-16-yl)prop-2-enoate
Also Known As: Methyl (22E)-3-hydroxy-14,21-epoxychola-20,22-dien-24-oate|methyl (E)-3-(7-hydroxy-10,14-dimethyl-18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icos-16-en-16-yl)prop-2-enoate
CAS: 17150-40-2
| Molecular Formula | C25H36O4 |
|---|---|
| Molecular Weight | 400.26135 g/mol |
| LogP | 4.7721 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.26135 |
| Monoisotopic Mass | 400.26135 |
| Heavy Atoms | 29 |
| Complexity | 755.9223 |
Chemical Identifiers
| CAS Number | 17150-40-2 |
|---|---|
| SMILES | CC12CCC(CC1CCC3C2CCC4(C35CCC4C(=CO5)/C=C/C(=O)OC)C)O |
Product Overview
NSC104119 (CAS 17150-40-2), with molecular formula C25H36O4 and molecular weight 400.26135 g/mol. IUPAC: methyl (E)-3-(7-hydroxy-10,14-dimethyl-18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icos-16-en-16-yl)prop-2-enoate.
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.
View MSDS →
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