| SpectraBase Compound ID | 8cirtj0TPHo |
|---|---|
| InChI | InChI=1S/C48H60O10/c1-43(2)21-22-47(42(55)56)23-24-48(28-57-40(53)15-9-29-7-12-33(49)35(51)25-29)31(32(47)27-43)11-14-38-45(5)19-18-39(44(3,4)37(45)17-20-46(38,48)6)58-41(54)16-10-30-8-13-34(50)36(52)26-30/h7-13,15-16,25-26,32,37-39,49-52H,14,17-24,27-28H2,1-6H3,(H,55,56)/b15-9+,16-10+/t32?,37?,38?,39-,45-,46+,47-,48-/m0/s1 |
| InChIKey | OQOHHYHCCUJBHE-QVOWWBMJSA-N |
| Mol Weight | 797.0 g/mol |
| Molecular Formula | C48H60O10 |
| Exact Mass | 796.418648 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A8OhzRaW6qn |
|---|---|
| Name | 3,27-DI-O-TRANS-CAFFEOYL-3-BETA,27-DIHYDROXY-12-EN-28-OIC-ACID |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H60O10 |
| InChI | InChI=1S/C48H60O10/c1-43(2)21-22-47(42(55)56)23-24-48(28-57-40(53)15-9-29-7-12-33(49)35(51)25-29)31(32(47)27-43)11-14-38-45(5)19-18-39(44(3,4)37(45)17-20-46(38,48)6)58-41(54)16-10-30-8-13-34(50)36(52)26-30/h7-13,15-16,25-26,32,37-39,49-52H,14,17-24,27-28H2,1-6H3,(H,55,56)/b15-9+,16-10+/t32?,37?,38?,39-,45-,46+,47-,48-/m0/s1 |
| InChIKey | OQOHHYHCCUJBHE-QVOWWBMJSA-N |
| Literature Reference Author | Z.H.JIANG,T.TANAKA,I.KOUNO |
| Literature Reference Citation | PHYTOCHEM.,40,1223(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00412-Z |
| Molecular Weight | 796.998 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS2816 |