| SpectraBase Compound ID | 1JOncXFEM9F |
|---|---|
| InChI | InChI=1S/C38H44O14/c1-42-21-26-28(43-2)30(44-3)32(45-4)38(49-26)47-22-27-29(50-34(39)23-15-9-6-10-16-23)31(51-35(40)24-17-11-7-12-18-24)33(37(46-5)48-27)52-36(41)25-19-13-8-14-20-25/h6-20,26-33,37-38H,21-22H2,1-5H3/t26-,27+,28-,29+,30+,31-,32-,33+,37-,38+/m1/s1 |
| InChIKey | VELQCOOKPVOPMN-OALPXDNXSA-N |
| Mol Weight | 724.8 g/mol |
| Molecular Formula | C38H44O14 |
| Exact Mass | 724.273106 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JWZr0ZpWvim |
|---|---|
| Name | ISOMER-ALPHA |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H44O14 |
| InChI | InChI=1S/C38H44O14/c1-42-21-26-28(43-2)30(44-3)32(45-4)38(49-26)47-22-27-29(50-34(39)23-15-9-6-10-16-23)31(51-35(40)24-17-11-7-12-18-24)33(37(46-5)48-27)52-36(41)25-19-13-8-14-20-25/h6-20,26-33,37-38H,21-22H2,1-5H3/t26-,27+,28-,29+,30+,31-,32-,33+,37-,38+/m1/s1 |
| InChIKey | VELQCOOKPVOPMN-OALPXDNXSA-N |
| Literature Reference Author | M.J.CHEN,K.RAVINDRAN,D.W.LANDRY,K.ZHAO |
| Literature Reference Citation | HETEROCYCLES,45,1247(1997) |
| Literature Reference DOI | 10.3987/COM-96-7466 |
| Molecular Weight | 724.759 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP6627 |