| SpectraBase Compound ID | 5ogwP2Dhbw6 |
|---|---|
| InChI | InChI=1S/C40H58O3/c1-37-21-7-5-9-25(37)11-13-27-29-15-17-33(39(29,3)23-19-31(27)37)35(41)43-36(42)34-18-16-30-28-14-12-26-10-6-8-22-38(26,2)32(28)20-24-40(30,34)4/h17-18,25-32H,5-16,19-24H2,1-4H3/t25-,26-,27+,28+,29+,30+,31+,32+,37+,38+,39+,40+/m0/s1 |
| InChIKey | MIXTXTKJLODCRZ-IAPGOYGYSA-N |
| Mol Weight | 586.9 g/mol |
| Molecular Formula | C40H58O3 |
| Exact Mass | 586.438596 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bv16z9vXzzV |
|---|---|
| Name | ANDROSTA-16-EN-17-CARBOXYLIC-ANHYDRIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H58O3 |
| InChI | InChI=1S/C40H58O3/c1-37-21-7-5-9-25(37)11-13-27-29-15-17-33(39(29,3)23-19-31(27)37)35(41)43-36(42)34-18-16-30-28-14-12-26-10-6-8-22-38(26,2)32(28)20-24-40(30,34)4/h17-18,25-32H,5-16,19-24H2,1-4H3/t25-,26-,27+,28+,29+,30+,31+,32+,37+,38+,39+,40+/m0/s1 |
| InChIKey | MIXTXTKJLODCRZ-IAPGOYGYSA-N |
| Literature Reference Author | R.SKODA-FOULDES,Z.CSAKAI,L.KOLLAR,G.SZALONTAI,J.HORVATH,Z.TU BA |
| Literature Reference Citation | STEROIDS,60,786(1995) |
| Literature Reference DOI | 10.1016/0039-128x(95)00120-f |
| Molecular Weight | 586.899 g/mol |
| Source File Reference | UWLU73916 |