| SpectraBase Compound ID | 7xJzvU5Su5P |
|---|---|
| InChI | InChI=1S/C61H86O34/c1-8-26-30(34(53(78)81-5)21-87-56(26)93-59-50(75)47(72)44(69)38(15-62)90-59)12-41(66)84-18-25(19-85-42(67)13-31-27(9-2)57(88-22-35(31)54(79)82-6)94-60-51(76)48(73)45(70)39(16-63)91-60)29-11-37(65)24(4)33(29)20-86-43(68)14-32-28(10-3)58(89-23-36(32)55(80)83-7)95-61-52(77)49(74)46(71)40(17-64)92-61/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 | ISPNVFXVQQJBJP-PTSKSBNDSA-N |
| Mol Weight | 1363.3 g/mol |
| Molecular Formula | C61H86O34 |
| Exact Mass | 1362.50005 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | I5e1nCra85E |
|---|---|
| Name | SAMBACOSIDE-E |
| Compound Number | 217 |
| 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)21-87-56(26)93-59-50(75)47(72)44(69)38(15-62)90-59)12-41(66)84-18-25(19-85-42(67)13-31-27(9-2)57(88-22-35(31)54(79)82-6)94-60-51(76)48(73)45(70)39(16-63)91-60)29-11-37(65)24(4)33(29)20-86-43(68)14-32-28(10-3)58(89-23-36(32)55(80)83-7)95-61-52(77)49(74)46(71)40(17-64)92-61/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 | ISPNVFXVQQJBJP-PTSKSBNDSA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,54,1173(1991) |
| Literature Reference DOI | 10.1021/np50077a001 |
| Molecular Weight | 1363.333 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS5223 |