| SpectraBase Compound ID | 4juPkxY8sry |
|---|---|
| InChI | InChI=1S/C66H104O25/c1-10-13-21-29-42-30-25-18-16-15-17-19-26-32-43(67)85-58-51(75)53(38(7)81-65(58)90-57-49(73)47(71)37(6)79-64(57)83-42)88-66-60(86-44(68)31-22-14-11-2)59(91-62-50(74)48(72)46(70)36(5)78-62)55(40(9)82-66)89-63-52(76)56(54(39(8)80-63)87-61(77)35(4)12-3)84-45(69)34-33-41-27-23-20-24-28-41/h20,23-24,27-28,33-40,42,46-60,62-66,70-76H,10-19,21-22,25-26,29-32H2,1-9H3/b34-33+/t35-,36+,37-,38+,39+,40+,42+,46+,47+,48-,49+,50-,51-,52-,53+,54+,55+,56+,57-,58-,59-,60-,62+,63+,64+,65+,66+/m1/s1 |
| InChIKey | JHRFBVHYLIIXNN-MNMWQMPUSA-N |
| Mol Weight | 1297.5 g/mol |
| Molecular Formula | C66H104O25 |
| Exact Mass | 1296.686669 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6RiCubbUKiS |
|---|---|
| Name | PESCAPREIN_XXIX |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H104O25 |
| InChI | InChI=1S/C66H104O25/c1-10-13-21-29-42-30-25-18-16-15-17-19-26-32-43(67)85-58-51(75)53(38(7)81-65(58)90-57-49(73)47(71)37(6)79-64(57)83-42)88-66-60(86-44(68)31-22-14-11-2)59(91-62-50(74)48(72)46(70)36(5)78-62)55(40(9)82-66)89-63-52(76)56(54(39(8)80-63)87-61(77)35(4)12-3)84-45(69)34-33-41-27-23-20-24-28-41/h20,23-24,27-28,33-40,42,46-60,62-66,70-76H,10-19,21-22,25-26,29-32H2,1-9H3/b34-33+/t35-,36+,37-,38+,39+,40+,42+,46+,47+,48-,49+,50-,51-,52-,53+,54+,55+,56+,57-,58-,59-,60-,62+,63+,64+,65+,66+/m1/s1 |
| InChIKey | JHRFBVHYLIIXNN-MNMWQMPUSA-N |
| Literature Reference Author | B.W.YU,J.G.LUO,J.S.WANG,D.M.ZHANG,S.S.YU,L.Y.KONG |
| Literature Reference Citation | J.NAT.PROD.,74,620(2011) |
| Literature Reference DOI | 10.1021/np100640f |
| Molecular Weight | 1297.537 g/mol |
| Sample ID | 37389 |
| Solvent | C5D5N |