![17'-HYDROXY-(13-BETA-H,17'-BETA-H)-13,17-SECO-[20,21]-BIPREGNAYL-4,20,4'-TRIENE-20'-IN-3,17,3'-TRIONE](/api/spectrum/BAZcZ3HeTTz/structure.png?h=300&w=458 "17'-HYDROXY-(13-BETA-H,17'-BETA-H)-13,17-SECO-[20,21]-BIPREGNAYL-4,20,4'-TRIENE-20'-IN-3,17,3'-TRIONE")
| SpectraBase Compound ID | FR7itnjo1w2 |
|---|---|
| InChI | InChI=1S/C40H52O4/c1-24-4-9-34-31-12-7-28(41)22-26(31)5-10-33(34)30(24)14-15-38(43)25(2)16-20-40(44)21-18-37-36-11-6-27-23-29(42)8-13-32(27)35(36)17-19-39(37,40)3/h22-24,30-37,44H,2,4-15,17-19,21H2,1,3H3/t24-,30?,31+,32+,33?,34?,35?,36?,37?,39+,40+/m1/s1 |
| InChIKey | PLQNHLARGZBIMU-AWHNJOHGSA-N |
| Mol Weight | 596.9 g/mol |
| Molecular Formula | C40H52O4 |
| Exact Mass | 596.38656 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BAZcZ3HeTTz |
|---|---|
| Name | 17-Hydroxy-(13.beta.H,17'.beta.H )-13,17-seco[20,21]bipregnayl-4,20,4'-triene-20'-yn-3,17,3'-trione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H52O4 |
| InChI | InChI=1S/C40H52O4/c1-24-4-9-34-31-12-7-28(41)22-26(31)5-10-33(34)30(24)14-15-38(43)25(2)16-20-40(44)21-18-37-36-11-6-27-23-29(42)8-13-32(27)35(36)17-19-39(37,40)3/h22-24,30-37,44H,2,4-15,17-19,21H2,1,3H3/t24-,30?,31+,32+,33?,34?,35?,36?,37?,39+,40+/m1/s1 |
| InChIKey | PLQNHLARGZBIMU-AWHNJOHGSA-N |
| Molecular Weight | 596.852 g/mol |
| SMILES | O[C@]1(C#CC(C(CCC2C3C([C@]4(CCC(C=C4CC3)=O)[H])CC[C@]2(C)[H])=O)=C)[C@@]2(C(C3CCC=4[C@@](C3CC2)(CCC(=O)C4)[H])CC1)C |
| SPLASH | splash10-01qa-0000090000-378c7250cdd749d7cc20 |
| Source of Spectrum | AH-124-1173-4 |
| Wiley ID | 1409865 |