| SpectraBase Compound ID | HeEhpeqVGLA |
|---|---|
| InChI | InChI=1S/C76H64O20/c77-32-56-69(89)71(91)72(92)76(95-56)93-50-22-33(21-45(83)27-50)23-51(34-1-11-40(78)12-2-34)64-70(90)67-62(53-29-49(87)31-55-61(53)59(39-24-46(84)26-47(85)25-39)73(94-55)37-7-17-43(81)18-8-37)58(36-5-15-42(80)16-6-36)65-57(35-3-13-41(79)14-4-35)60-52(28-48(86)30-54(60)88)63-68(66(65)67)75(64)96-74(63)38-9-19-44(82)20-10-38/h1-22,24-31,51,56-59,62-63,65,69,71-74,76-92H,23,32H2/t51-,56-,57+,58+,59+,62+,63+,65-,69-,71+,72-,73-,74-,76-/m0/s1 |
| InChIKey | WMPBMVQBTNKOKJ-GSZYEACISA-N |
| Mol Weight | 1297.3 g/mol |
| Molecular Formula | C76H64O20 |
| Exact Mass | 1296.399094 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6M46GS1S4xE |
|---|---|
| Name | UPUNOSIDE-A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C76H64O20 |
| InChI | InChI=1S/C76H64O20/c77-32-56-69(89)71(91)72(92)76(95-56)93-50-22-33(21-45(83)27-50)23-51(34-1-11-40(78)12-2-34)64-70(90)67-62(53-29-49(87)31-55-61(53)59(39-24-46(84)26-47(85)25-39)73(94-55)37-7-17-43(81)18-8-37)58(36-5-15-42(80)16-6-36)65-57(35-3-13-41(79)14-4-35)60-52(28-48(86)30-54(60)88)63-68(66(65)67)75(64)96-74(63)38-9-19-44(82)20-10-38/h1-22,24-31,51,56-59,62-63,65,69,71-74,76-92H,23,32H2/t51-,56-,57+,58+,59+,62+,63+,65-,69-,71+,72-,73-,74-,76-/m0/s1 |
| InChIKey | WMPBMVQBTNKOKJ-GSZYEACISA-N |
| Literature Reference Author | N.ABE,T.ITO,M.OYAMA,R.SAWA,Y.TAKAHASHI,V.CHELLADURAI,M.IINUM A |
| Literature Reference Citation | CHEM.PHARM.BULL.,59,239(2011) |
| Literature Reference DOI | 10.1248/cpb.59.239 |
| Molecular Weight | 1297.332 g/mol |
| Sample ID | 2689 |
| Solvent | ACETONE-D6 |