| SpectraBase Compound ID | 8YbH0Q7JS06 |
|---|---|
| InChI | InChI=1S/C30H44O5/c1-18(2)9-8-10-20(27(34)35)26-24(31)17-30(7)23-12-11-21(19(3)4)28(5,15-14-25(32)33)22(23)13-16-29(26,30)6/h9,12-13,20-21,24,26,31H,3,8,10-11,14-17H2,1-2,4-7H3,(H,32,33)(H,34,35)/t20?,21-,24+,26-,28-,29+,30-/m0/s1 |
| InChIKey | NXAZWYWJZDFISF-RWENVMIDSA-N |
| Mol Weight | 484.7 g/mol |
| Molecular Formula | C30H44O5 |
| Exact Mass | 484.318875 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Cy3v4yqqCr |
|---|---|
| Name | PORICOIC-ACID-B;16-ALPHA-HYDROXY-3,4-SECOLANOSTA-4(28),7,9(11),24-TETRAEN-3,21-DIOIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H44O5 |
| InChI | InChI=1S/C30H44O5/c1-18(2)9-8-10-20(27(34)35)26-24(31)17-30(7)23-12-11-21(19(3)4)28(5,15-14-25(32)33)22(23)13-16-29(26,30)6/h9,12-13,20-21,24,26,31H,3,8,10-11,14-17H2,1-2,4-7H3,(H,32,33)(H,34,35)/t20?,21-,24+,26-,28-,29+,30-/m0/s1 |
| InChIKey | NXAZWYWJZDFISF-RWENVMIDSA-N |
| Literature Reference Author | T.TAI,A.AKAHORI,T.SHINGU |
| Literature Reference Citation | PHYTOCHEM.,30,2796(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)85149-T |
| Molecular Weight | 484.676 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN30926 |