| SpectraBase Compound ID | FwLvSxAQipE |
|---|---|
| InChI | InChI=1S/C32H42O8/c1-7-22-9-13-27-26-11-8-21-16-23(10-12-24(21)25(26)14-15-32(22,27)6)40-31-30(39-20(5)35)29(38-19(4)34)28(17(2)36-31)37-18(3)33/h7,10,12,16-17,22,25-31H,1,8-9,11,13-15H2,2-6H3/t17-,22+,25?,26?,27?,28+,29+,30-,31-,32-/m1/s1 |
| InChIKey | ALRSXATWIDXPMN-ZOIGDXQOSA-N |
| Mol Weight | 554.7 g/mol |
| Molecular Formula | C32H42O8 |
| Exact Mass | 554.287968 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CQA5jEjWsYb |
|---|---|
| Name | 19-nor-Pregna-1,3,5(10),20-tetraen-3-O-.alpha.-fucopyranoside - 2',3',4'-Triacetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H42O8 |
| InChI | InChI=1S/C32H42O8/c1-7-22-9-13-27-26-11-8-21-16-23(10-12-24(21)25(26)14-15-32(22,27)6)40-31-30(39-20(5)35)29(38-19(4)34)28(17(2)36-31)37-18(3)33/h7,10,12,16-17,22,25-31H,1,8-9,11,13-15H2,2-6H3/t17-,22+,25?,26?,27?,28+,29+,30-,31-,32-/m1/s1 |
| InChIKey | ALRSXATWIDXPMN-ZOIGDXQOSA-N |
| Molecular Weight | 554.680 g/mol |
| SMILES | [C@@]1([C@]([C@@](OC(=O)C)([C@](O[C@@]1(Oc1cc2CCC3C4[C@]([C@@](C=C)(CC4)[H])(C)CCC3c2cc1)[H])(C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H] |
| SPLASH | splash10-03e9-0090000000-e2a5dc1258d2b51e7972 |
| Source of Spectrum | G4-62-320-3 |
| Wiley ID | 1607757 |