| SpectraBase Compound ID | 9o0HYnTolBQ |
|---|---|
| InChI | InChI=1S/C61H86O34/c1-8-26-30(34(53(78)81-5)21-86-56(26)93-59-50(75)47(72)44(69)38(16-63)90-59)12-41(66)84-19-25(15-62)29-11-37(89-43(68)14-32-28(10-3)58(88-23-36(32)55(80)83-7)95-61-52(77)49(74)46(71)40(18-65)92-61)24(4)33(29)20-85-42(67)13-31-27(9-2)57(87-22-35(31)54(79)82-6)94-60-51(76)48(73)45(70)39(17-64)91-60/h8-10,21-25,29-33,37-40,44-52,56-65,69-77H,11-20H2,1-7H3/b26-8-,27-9-,28-10-/t24-,25-,29+,30+,31+,32-,33-,37-,38+,39+,40-,44+,45+,46-,47-,48-,49+,50+,51+,52-,56+,57+,58-,59-,60-,61+/m0/s1 |
| InChIKey | PCMFSBCRKKRDDK-QTCQLFDQSA-N |
| Mol Weight | 1363.3 g/mol |
| Molecular Formula | C61H86O34 |
| Exact Mass | 1362.50005 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IUCWY2FyFLG |
|---|---|
| Name | SAMBACOSIDE-A |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H86O34 |
| InChI | InChI=1S/C61H86O34/c1-8-26-30(34(53(78)81-5)21-86-56(26)93-59-50(75)47(72)44(69)38(16-63)90-59)12-41(66)84-19-25(15-62)29-11-37(89-43(68)14-32-28(10-3)58(88-23-36(32)55(80)83-7)95-61-52(77)49(74)46(71)40(18-65)92-61)24(4)33(29)20-85-42(67)13-31-27(9-2)57(87-22-35(31)54(79)82-6)94-60-51(76)48(73)45(70)39(17-64)91-60/h8-10,21-25,29-33,37-40,44-52,56-65,69-77H,11-20H2,1-7H3/b26-8-,27-9-,28-10-/t24-,25-,29+,30+,31+,32-,33-,37-,38+,39+,40-,44+,45+,46-,47-,48-,49+,50+,51+,52-,56+,57+,58-,59-,60-,61+/m0/s1 |
| InChIKey | PCMFSBCRKKRDDK-QTCQLFDQSA-N |
| Literature Reference Author | Y.C.SHEN,C.F.CHEN,J.GAO,C.ZHAO,C.Y.CHEN |
| Literature Reference Citation | J.CHIN.CHEM.SOC.,47,367(2000) |
| Literature Reference DOI | 10.1002/jccs.200000049 |
| Molecular Weight | 1363.333 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS3255 |