| SpectraBase Compound ID | C8Wcn7VIe9j |
|---|---|
| InChI | InChI=1S/C43H74O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-41(44)45-36-27-29-42(6)35(31-36)23-24-37-39-26-25-38(43(39,7)30-28-40(37)42)34(5)22-21-33(4)32(2)3/h21-22,24,32-36,38-40H,8-20,23,25-31H2,1-7H3/b22-21+/t33?,34-,35+,36+,38-,39+,40+,42+,43-/m1/s1 |
| InChIKey | KAAPPNYFWFPISZ-LPUAUBJOSA-N |
| Mol Weight | 623.1 g/mol |
| Molecular Formula | C43H74O2 |
| Exact Mass | 622.568882 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EXUsOwi6EQJ |
|---|---|
| Name | ERGOSTA-7,22-DIENE-3-BETA-YL-PENTADECANOATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H74O2 |
| InChI | InChI=1S/C43H74O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-41(44)45-36-27-29-42(6)35(31-36)23-24-37-39-26-25-38(43(39,7)30-28-40(37)42)34(5)22-21-33(4)32(2)3/h21-22,24,32-36,38-40H,8-20,23,25-31H2,1-7H3/b22-21+/t33?,34-,35+,36+,38-,39+,40+,42+,43-/m1/s1 |
| InChIKey | KAAPPNYFWFPISZ-LPUAUBJOSA-N |
| Literature Reference Author | F.C.ZIEGENBEIN,H.P.HANSSEN,W.A.KOENIG |
| Literature Reference Citation | PHYTOCHEM.,67,202(2006) |
| Literature Reference DOI | 10.1016/j.phytochem.2005.10.025 |
| Molecular Weight | 623.059 g/mol |
| Sample ID | 66024 |
| Solvent | C6D6 |