| SpectraBase Compound ID | ExPZRo3moU |
|---|---|
| InChI | InChI=1S/C27H44O4/c1-17(2)7-6-8-18(3)20-9-10-21-22-15-23(29)27(31)16-19(28)11-12-25(27,5)26(22,30)14-13-24(20,21)4/h6,8,15,17-21,23,28-31H,7,9-14,16H2,1-5H3/b8-6+/t18-,19+,20-,21?,23-,24-,25-,26-,27+/m1/s1 |
| InChIKey | IXGONUKVIBKTRH-NNCIWWHBSA-N |
| Mol Weight | 432.6 g/mol |
| Molecular Formula | C27H44O4 |
| Exact Mass | 432.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LNLuxATbb86 |
|---|---|
| Name | (22E)-A-7,22-DIENE-3-BETA,5,6-BETA,9-TETRAOL |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O4 |
| InChI | InChI=1S/C27H44O4/c1-17(2)7-6-8-18(3)20-9-10-21-22-15-23(29)27(31)16-19(28)11-12-25(27,5)26(22,30)14-13-24(20,21)4/h6,8,15,17-21,23,28-31H,7,9-14,16H2,1-5H3/b8-6+/t18-,19+,20-,21?,23-,24-,25-,26-,27+/m1/s1 |
| InChIKey | IXGONUKVIBKTRH-NNCIWWHBSA-N |
| Literature Reference Author | A.MIGLIUOLO,G.NOTARO,V.PICCIALLI,D.SICA |
| Literature Reference Citation | J.NAT.PROD.,53,1414(1990) |
| Literature Reference DOI | 10.1021/np50072a003 |
| Molecular Weight | 432.644 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWCS23636 |