| SpectraBase Compound ID | 7U562plPkl3 |
|---|---|
| InChI | InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(53)34(51)31(48)21(3)56-40)38(33(50)29(17-47)59-42)60-41-37(54)35(52)32(49)28(16-46)58-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19-,20+,21+,23+,24?,25?,26?,27?,28-,29-,30?,31+,32-,33-,34-,35+,36-,37-,38+,39-,40-,41+,42-,43+,44+,45-/m0/s1 |
| InChIKey | YQEMAEKYNNOCBY-XZCVCUMFSA-N |
| Mol Weight | 885.1 g/mol |
| Molecular Formula | C45H72O17 |
| Exact Mass | 884.476951 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9SIcW71fKOZ |
|---|---|
| Name | GRACILLIN |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C45H72O17 |
| InChI | InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(53)34(51)31(48)21(3)56-40)38(33(50)29(17-47)59-42)60-41-37(54)35(52)32(49)28(16-46)58-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19-,20+,21+,23+,24?,25?,26?,27?,28-,29-,30?,31+,32-,33-,34-,35+,36-,37-,38+,39-,40-,41+,42-,43+,44+,45-/m0/s1 |
| InChIKey | YQEMAEKYNNOCBY-XZCVCUMFSA-N |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |