| SpectraBase Compound ID | 7DVzb1zNbfo |
|---|---|
| InChI | InChI=1S/C68H110O8/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-40-63(71)76-46-36-39-59-57(54(6)51-69)41-44-66(7,74)68(59)45-42-58(64(68)72)55-48-56(47-53(5)38-35-37-52(3)4)67(60(49-55)61(70)50-62(75-8)65(67)73)43-34-32-30-28-26-24-22-20-18-16-14-12-10-2/h16,18,37,47-48,50-51,56,58-60,64,72,74H,9-15,17,19-36,38-46,49H2,1-8H3/b18-16-,53-47+,57-54+/t56-,58-,59+,60+,64+,66-,67+,68-/m0/s1 |
| InChIKey | RFQSRLURKANOJQ-SUORSOLESA-N |
| Mol Weight | 1055.6 g/mol |
| Molecular Formula | C68H110O8 |
| Exact Mass | 1054.82007 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9K7BunomN81 |
|---|---|
| Name | IRISTECTORONE-E |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H110O8 |
| InChI | InChI=1S/C68H110O8/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-40-63(71)76-46-36-39-59-57(54(6)51-69)41-44-66(7,74)68(59)45-42-58(64(68)72)55-48-56(47-53(5)38-35-37-52(3)4)67(60(49-55)61(70)50-62(75-8)65(67)73)43-34-32-30-28-26-24-22-20-18-16-14-12-10-2/h16,18,37,47-48,50-51,56,58-60,64,72,74H,9-15,17,19-36,38-46,49H2,1-8H3/b18-16-,53-47+,57-54+/t56-,58-,59+,60+,64+,66-,67+,68-/m0/s1 |
| InChIKey | RFQSRLURKANOJQ-SUORSOLESA-N |
| Literature Reference Author | K.SEKI,T.TOMIHARI,K.HAGA,R.KANEKO |
| Literature Reference Citation | PHYTOCHEM.,37,807(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90362-5 |
| Molecular Weight | 1055.617 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU23490 |