| SpectraBase Compound ID | 5p4uDFfToNG |
|---|---|
| InChI | InChI=1S/C46H78O4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-42(47)48-38-28-31-44(7)41-29-30-43(6)39(37(5)25-24-36(4)35(2)3)26-27-40(43)46(41)33-32-45(44,34-38)49-50-46/h24-25,32-33,35-41H,8-23,26-31,34H2,1-7H3/b25-24+/t36-,37+,38-,39+,40?,41?,43+,44+,45+,46-/m0/s1 |
| InChIKey | AAVOORLCDILPHX-LHFCTGTASA-N |
| Mol Weight | 695.1 g/mol |
| Molecular Formula | C46H78O4 |
| Exact Mass | 694.590011 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hmcxwk152YL |
|---|---|
| Name | 5ALPHA,8ALPHA-EPIDIOXYERGOSTA-6,22-DIEN-3BETA-YL_STEARATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H78O4 |
| InChI | InChI=1S/C46H78O4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-42(47)48-38-28-31-44(7)41-29-30-43(6)39(37(5)25-24-36(4)35(2)3)26-27-40(43)46(41)33-32-45(44,34-38)49-50-46/h24-25,32-33,35-41H,8-23,26-31,34H2,1-7H3/b25-24+/t36-,37+,38-,39+,40?,41?,43+,44+,45+,46-/m0/s1 |
| InChIKey | AAVOORLCDILPHX-LHFCTGTASA-N |
| Literature Reference Author | G.M.WOLDEMICHAEL,S.G.FRANZBLAU,F.ZHANG,Y.WANG,B.N.TIMMERMAN |
| Literature Reference Citation | PLANTA.MED.,69,628(2003) |
| Literature Reference DOI | 10.1055/s-2003-41109 |
| Molecular Weight | 695.123 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UIAP1972 |