| SpectraBase Compound ID | GQmgPeKCKjx |
|---|---|
| InChI | InChI=1S/C56H42O12/c57-31-9-1-25(2-10-31)43-47-39(65)23-41-49(45(29-17-35(61)21-36(62)18-29)55(67-41)27-5-13-33(59)14-6-27)53(47)52-44(26-3-11-32(58)12-4-26)51(43)54-48(52)40(66)24-42-50(54)46(30-19-37(63)22-38(64)20-30)56(68-42)28-7-15-34(60)16-8-28/h1-24,43-46,51-52,55-66H/t43-,44+,45+,46+,51+,52-,55-,56-/m0/s1 |
| InChIKey | DTAYOOZOCCYGJM-GFYHMVKDSA-N |
| Mol Weight | 906.9 g/mol |
| Molecular Formula | C56H42O12 |
| Exact Mass | 906.267627 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HO3K0RLVGxm |
|---|---|
| Name | VATICANOL-C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H42O12 |
| InChI | InChI=1S/C56H42O12/c57-31-9-1-25(2-10-31)43-47-39(65)23-41-49(45(29-17-35(61)21-36(62)18-29)55(67-41)27-5-13-33(59)14-6-27)53(47)52-44(26-3-11-32(58)12-4-26)51(43)54-48(52)40(66)24-42-50(54)46(30-19-37(63)22-38(64)20-30)56(68-42)28-7-15-34(60)16-8-28/h1-24,43-46,51-52,55-66H/t43-,44+,45+,46+,51+,52-,55-,56-/m0/s1 |
| InChIKey | DTAYOOZOCCYGJM-GFYHMVKDSA-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 | 906.942 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWLU1220 |