| SpectraBase Compound ID | KHHHVFUNjJ7 |
|---|---|
| InChI | InChI=1S/C34H46O3/c1-34-20-19-30-29-18-16-28(37-24-25-12-8-7-9-13-25)22-26(29)15-17-31(30)33(34)27(23-32(34)36)14-10-5-3-2-4-6-11-21-35/h7-9,12-13,16,18,22,27,30-31,33,35H,2-6,10-11,14-15,17,19-21,23-24H2,1H3/t27?,30-,31-,33-,34-/m1/s1 |
| InChIKey | VTUYPVUVRYLZDT-PQXIPFTESA-N |
| Mol Weight | 502.7 g/mol |
| Molecular Formula | C34H46O3 |
| Exact Mass | 502.344695 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JQEndgAmqCn |
|---|---|
| Name | 3-Benzyloxy-15(.alpha.,.beta.)-{9'-hydroxy-1'-nonanyl}-1,3,5(10)-estratriene-17-one |
| Alternate Name(s) | (14beta)-3-(benzyloxy)-15-(9-hydroxynonyl)estra-1,3,5(10)-trien-17-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H46O3 |
| InChI | InChI=1S/C34H46O3/c1-34-20-19-30-29-18-16-28(37-24-25-12-8-7-9-13-25)22-26(29)15-17-31(30)33(34)27(23-32(34)36)14-10-5-3-2-4-6-11-21-35/h7-9,12-13,16,18,22,27,30-31,33,35H,2-6,10-11,14-15,17,19-21,23-24H2,1H3/t27?,30-,31-,33-,34-/m1/s1 |
| InChIKey | VTUYPVUVRYLZDT-PQXIPFTESA-N |
| Molecular Weight | 502.739 g/mol |
| SMILES | OCCCCCCCCCC1[C@@]2([C@@]3(CCc4c([C@]3(CC[C@@]2(C(C1)=O)C)[H])ccc(OCc1ccccc1)c4)[H])[H] |
| SPLASH | splash10-0006-9000000000-5f1097564da26b8bcc51 |
| Source of Spectrum | F-47-7759-12 |
| Wiley ID | 1399353 |