| SpectraBase Compound ID | 3KihMqeGDmI |
|---|---|
| InChI | InChI=1S/C56H42O12/c57-30-9-1-25(2-10-30)44-47-38(20-36(63)22-40(47)65)50-52-43(68-56(50)28-7-15-33(60)16-8-28)24-41(66)51-49(45(53(44)54(51)52)26-3-11-31(58)12-4-26)39-21-37(64)23-42-48(39)46(29-17-34(61)19-35(62)18-29)55(67-42)27-5-13-32(59)14-6-27/h1-24,44-46,49-50,53,55-66H/t44-,45-,46+,49-,50-,53+,55-,56+/m0/s1 |
| InChIKey | VOANMQWFRWOKSM-VCEXAHOOSA-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 | 3SbHK1RQqgE |
|---|---|
| Name | VATICANOL-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H42O12 |
| InChI | InChI=1S/C56H42O12/c57-30-9-1-25(2-10-30)44-47-38(20-36(63)22-40(47)65)50-52-43(68-56(50)28-7-15-33(60)16-8-28)24-41(66)51-49(45(53(44)54(51)52)26-3-11-31(58)12-4-26)39-21-37(64)23-42-48(39)46(29-17-34(61)19-35(62)18-29)55(67-42)27-5-13-32(59)14-6-27/h1-24,44-46,49-50,53,55-66H/t44-,45-,46+,49-,50-,53+,55-,56+/m0/s1 |
| InChIKey | VOANMQWFRWOKSM-VCEXAHOOSA-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 | UWLU1218 |