![20-[(6',6'-Dimethylbicyclo[3.1.1]hept-2-en-2-y)lhydroxymethyl]mestranol](/api/spectrum/7q3hT6lxSPk/structure.png?h=300&w=458 "20-[(6',6'-Dimethylbicyclo[3.1.1]hept-2-en-2-y)lhydroxymethyl]mestranol")
| SpectraBase Compound ID | 2UYf2wenL7U |
|---|---|
| InChI | InChI=1S/C31H40O3/c1-29(2)20-6-9-25(27(29)18-20)28(32)13-16-31(33)15-12-26-24-8-5-19-17-21(34-4)7-10-22(19)23(24)11-14-30(26,31)3/h7,9-10,17,20,23-24,26-28,32-33H,5-6,8,11-12,14-15,18H2,1-4H3/t20-,23+,24+,26-,27-,28?,30-,31+/m0/s1 |
| InChIKey | GWLBVLLYIWGWQS-UVGNCDBESA-N |
| Mol Weight | 460.7 g/mol |
| Molecular Formula | C31H40O3 |
| Exact Mass | 460.297745 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7q3hT6lxSPk |
|---|---|
| Name | 20-[(6',6'-Dimethylbicyclo[3.1.1]hept-2-en-2-y)lhydroxymethyl]mestranol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H40O3 |
| InChI | InChI=1S/C31H40O3/c1-29(2)20-6-9-25(27(29)18-20)28(32)13-16-31(33)15-12-26-24-8-5-19-17-21(34-4)7-10-22(19)23(24)11-14-30(26,31)3/h7,9-10,17,20,23-24,26-28,32-33H,5-6,8,11-12,14-15,18H2,1-4H3/t20-,23+,24+,26-,27-,28?,30-,31+/m0/s1 |
| InChIKey | GWLBVLLYIWGWQS-UVGNCDBESA-N |
| Molecular Weight | 460.658 g/mol |
| SMILES | O[C@]1(C#CC(C=2[C@]3(C(C)(C)[C@](C3)(CC2)[H])[H])O)[C@@]2([C@@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OC)c4)[H])([H])CC1)C |
| SPLASH | splash10-0097-1891400000-95c3fd3e7c5e8a4f984f |
| Source of Spectrum | QE-12-6410-37 |
| Wiley ID | 1587239 |