| SpectraBase Compound ID | 1V87H2PpFCu |
|---|---|
| InChI | InChI=1S/C66H62O12/c1-67-40-19-11-35(12-20-40)54-57-49(31-46(73-7)32-50(57)75-9)60-62-53(78-66(60)38-17-25-43(70-4)26-18-38)34-51(76-10)61-59(55(63(54)64(61)62)36-13-21-41(68-2)22-14-36)48-30-47(74-8)33-52-58(48)56(39-27-44(71-5)29-45(28-39)72-6)65(77-52)37-15-23-42(69-3)24-16-37/h11-34,54-56,59-60,63,65-66H,1-10H3/t54-,55-,56+,59-,60-,63+,65-,66+/m0/s1 |
| InChIKey | LOMFTRIHGQGEIY-PJQAZADRSA-N |
| Mol Weight | 1047.2 g/mol |
| Molecular Formula | C66H62O12 |
| Exact Mass | 1046.424127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6fABIBEqmhX |
|---|---|
| Name | VATICANOL-B-PERMETHYLETHER |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H62O12 |
| InChI | InChI=1S/C66H62O12/c1-67-40-19-11-35(12-20-40)54-57-49(31-46(73-7)32-50(57)75-9)60-62-53(78-66(60)38-17-25-43(70-4)26-18-38)34-51(76-10)61-59(55(63(54)64(61)62)36-13-21-41(68-2)22-14-36)48-30-47(74-8)33-52-58(48)56(39-27-44(71-5)29-45(28-39)72-6)65(77-52)37-15-23-42(69-3)24-16-37/h11-34,54-56,59-60,63,65-66H,1-10H3/t54-,55-,56+,59-,60-,63+,65-,66+/m0/s1 |
| InChIKey | LOMFTRIHGQGEIY-PJQAZADRSA-N |
| Literature Reference Author | T.TANAKA,T.ITO,K.NAKAYA,M.IINUMA,S.RISWAN |
| Literature Reference Citation | PHYTOCHEM.,54,63(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00026-1 |
| Molecular Weight | 1047.211 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWLU1219 |