| SpectraBase Compound ID | 2Er4IffC6xv |
|---|---|
| InChI | InChI=1S/C47H80O3/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-44(49)50-39-29-31-46(6)38(33-39)34-43(48)45-41-28-27-40(47(41,7)32-30-42(45)46)36(5)25-26-37(9-2)35(3)4/h16-17,34-37,39-42,45H,8-15,18-33H2,1-7H3/b17-16+/t36-,37-,39+,40-,41+,42+,45+,46+,47-/m1/s1 |
| InChIKey | KVXNYCQECJBBAT-LTKXWNIESA-N |
| Mol Weight | 693.2 g/mol |
| Molecular Formula | C47H80O3 |
| Exact Mass | 692.610746 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Zv22BHR5K9 |
|---|---|
| Name | 7-OXOSTIGMAST-5-EN-3-BETA-YL-OLEATE |
| Compound Number | 17A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H80O3 |
| InChI | InChI=1S/C47H80O3/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-44(49)50-39-29-31-46(6)38(33-39)34-43(48)45-41-28-27-40(47(41,7)32-30-42(45)46)36(5)25-26-37(9-2)35(3)4/h16-17,34-37,39-42,45H,8-15,18-33H2,1-7H3/b17-16+/t36-,37-,39+,40-,41+,42+,45+,46+,47-/m1/s1 |
| InChIKey | KVXNYCQECJBBAT-LTKXWNIESA-N |
| Literature Reference Author | H.ACHENBACH,D.FREY |
| Literature Reference Citation | PHYTOCHEM.,31,4263(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)80456-O |
| Molecular Weight | 693.150 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN26728 |