| SpectraBase Compound ID | 7e6sZulRWOu |
|---|---|
| InChI | InChI=1S/C28H40O3/c1-17(19(3)26(30)31)6-7-18(2)23-10-11-24-22-9-8-20-16-21(29)12-14-27(20,4)25(22)13-15-28(23,24)5/h6-7,12,14,16-19,22-25H,8-11,13,15H2,1-5H3,(H,30,31)/b7-6+/t17-,18+,19?,22-,23+,24-,25-,27?,28?/m0/s1 |
| InChIKey | DFDNBLQKVGDPAJ-ABEDPZGOSA-N |
| Mol Weight | 424.6 g/mol |
| Molecular Formula | C28H40O3 |
| Exact Mass | 424.297745 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FRUGiDaqV98 |
|---|---|
| Name | 3-OXO-1,4,22-ERGOSTA-TRIEN-26-OIC-ACID |
| Compound Number | V |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H40O3 |
| InChI | InChI=1S/C28H40O3/c1-17(19(3)26(30)31)6-7-18(2)23-10-11-24-22-9-8-20-16-21(29)12-14-27(20,4)25(22)13-15-28(23,24)5/h6-7,12,14,16-19,22-25H,8-11,13,15H2,1-5H3,(H,30,31)/b7-6+/t17-,18+,19?,22-,23+,24-,25-,27?,28?/m0/s1 |
| InChIKey | DFDNBLQKVGDPAJ-ABEDPZGOSA-N |
| Literature Reference Author | G.AMBRUS,E.ILKOY,A.JEKKEL,G.HORVATH,Z.BOECSKEI |
| Literature Reference Citation | STEROIDS,60,626(1995) |
| Literature Reference DOI | 10.1016/0039-128x(95)00078-5 |
| Molecular Weight | 424.624 g/mol |
| Source File Reference | UWLU73853 |