Estriol 3,17-dihexanoate
[(8R,9S,13S,14S,16R,17R)-3-hexanoyloxy-16-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hexanoate
Also Known As: Estriol 3,17-dihexanoate|estriol dihexanoate|E3-Hex|ESTRIOL 3,17.BETA.-DIHEXANOATE|[(8R,9S,13S,14S,16R,17R)-3-hexanoyloxy-16-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hexanoate|3,17|A-dihexanoyloxy-1,3,5(10)-estratrien-16|A-ol|3,17beta-dihexanoyloxy-1,3,5(10)-estratrien-16alfa-ol|16-Hydroxy-16alpha,17beta-estra-1(10),2,4-triene-3,17-diyl dihexanoate|ESTRA-1,3,5(10)-TRIENE-3,16,17-TRIOL, 3,17-DIHEXANOATE, (16.ALPHA.,17.BETA.)-
| Molecular Formula | C30H44O5 |
|---|---|
| Molecular Weight | 484.31888 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 484.31888 |
| Monoisotopic Mass | 484.31888 |
| Heavy Atoms | 35 |
| Complexity | 722.0 |
Chemical Identifiers
| CAS Number | 104202-96-2 |
|---|---|
| SMILES | CCCCCC(=O)O[C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)OC(=O)CCCCC)C)O |
| InChIKey | ZOVABFBGAYSQTL-AECPDVIXSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Estriol 3,17-dihexanoate (CAS 104202-96-2), with molecular formula C30H44O5 and molecular weight 484.31888 g/mol. IUPAC: [(8R,9S,13S,14S,16R,17R)-3-hexanoyloxy-16-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hexanoate.
Estriol 3,17-dihexanoate is a custom synthesis product. We offer services from milligram to kilogram scale.
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