![Bis[3-O-ethoxymethyl-17.beta./.alpha.-hydroxy-17.beta.-estradiol]methane](/api/spectrum/Bvh2v6kU0Vg/structure.png?h=300&w=458 "Bis[3-O-ethoxymethyl-17.beta./.alpha.-hydroxy-17.beta.-estradiol]methane")
| SpectraBase Compound ID | FggOn6UVdHS |
|---|---|
| InChI | InChI=1S/C43H60O6/c1-5-44-25-46-30-9-13-32-28(23-30)7-11-36-34(32)19-21-42(3)38(36)15-17-40(42)48-27-49-41-18-16-39-37-12-8-29-24-31(47-26-45-6-2)10-14-33(29)35(37)20-22-43(39,41)4/h9-10,13-14,23-24,34-41H,5-8,11-12,15-22,25-27H2,1-4H3/t34-,35-,36-,37-,38+,39+,40+,41+,42+,43+/m1/s1 |
| InChIKey | CSNZRXGUHHDWFQ-AEFPHYFOSA-N |
| Mol Weight | 672.9 g/mol |
| Molecular Formula | C43H60O6 |
| Exact Mass | 672.43899 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Bvh2v6kU0Vg |
|---|---|
| Name | Bis[3-O-ethoxymethyl-17.beta./.alpha.-hydroxy-17.beta.-estradiol]methane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C43H60O6 |
| InChI | InChI=1S/C43H60O6/c1-5-44-25-46-30-9-13-32-28(23-30)7-11-36-34(32)19-21-42(3)38(36)15-17-40(42)48-27-49-41-18-16-39-37-12-8-29-24-31(47-26-45-6-2)10-14-33(29)35(37)20-22-43(39,41)4/h9-10,13-14,23-24,34-41H,5-8,11-12,15-22,25-27H2,1-4H3/t34-,35-,36-,37-,38+,39+,40+,41+,42+,43+/m1/s1 |
| InChIKey | CSNZRXGUHHDWFQ-AEFPHYFOSA-N |
| Molecular Weight | 672.947 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OCOCC)c4)[H])(CC[C@@]1(OCO[C@@]1([C@@]2([C@@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OCOCC)c4)[H])([H])CC1)C)[H])[H])[H])C |
| SPLASH | splash10-0403-0169010000-2f1ca04f1ddb1f300b13 |
| Source of Spectrum | KD-12-805-3 |
| Wiley ID | 1634311 |