| SpectraBase Compound ID | BrHCfZ7UJM6 |
|---|---|
| InChI | InChI=1S/C66H104O8/c1-9-11-13-15-17-19-21-22-24-26-28-30-32-41-65-54(45-51(5)36-33-35-50(3)4)46-53(47-58(65)59(68)48-60(73-8)63(65)71)56-40-43-66(62(56)70)57(55(52(6)49-67)39-42-64(66,7)72)37-34-44-74-61(69)38-31-29-27-25-23-20-18-16-14-12-10-2/h15-18,35,45-46,48-49,54,56-58,62,70,72H,9-14,19-34,36-44,47H2,1-8H3/b17-15-,18-16-,51-45+,55-52+/t54-,56-,57+,58+,62+,64+,65+,66-/m0/s1 |
| InChIKey | PYFBBLOEUMAUFE-RMMAIDPYSA-N |
| Mol Weight | 1025.5 g/mol |
| Molecular Formula | C66H104O8 |
| Exact Mass | 1024.77312 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | lr6qbG1NAB |
|---|---|
| Name | IRISTECTORONE-A |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H104O8 |
| InChI | InChI=1S/C66H104O8/c1-9-11-13-15-17-19-21-22-24-26-28-30-32-41-65-54(45-51(5)36-33-35-50(3)4)46-53(47-58(65)59(68)48-60(73-8)63(65)71)56-40-43-66(62(56)70)57(55(52(6)49-67)39-42-64(66,7)72)37-34-44-74-61(69)38-31-29-27-25-23-20-18-16-14-12-10-2/h15-18,35,45-46,48-49,54,56-58,62,70,72H,9-14,19-34,36-44,47H2,1-8H3/b17-15-,18-16-,51-45+,55-52+/t54-,56-,57+,58+,62+,64+,65+,66-/m0/s1 |
| InChIKey | PYFBBLOEUMAUFE-RMMAIDPYSA-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 | 1025.547 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU23488 |