![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/CFgNs5KUk7w/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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CFgNs5KUk7w |
|---|---|
| Name | 17'-HYDROXY-(13-BETA-H,17'-BETA-H)-13,17-SECO-[20,21]-BIPREGNAYL-4,20,4'-TRIENE-20'-IN-3,17,3'-TRIONE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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 |
| Literature Reference Author | J.REISCH,J.ZAPPEL,G.HENKEL,N.EKIZ-GUECER |
| Literature Reference Citation | MH.CHEM.,124,1169(1993) |
| Literature Reference DOI | 10.1007/BF00810025 |
| Molecular Weight | 596.850 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWGS68 |