| SpectraBase Compound ID | Ah3jVCBTMHY |
|---|---|
| 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-/m1/s1 |
| InChIKey | YQEMAEKYNNOCBY-KQOIMZGSSA-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 | BoiYunuwBOc |
|---|---|
| Name | GRACILLIN;REFERENCE-4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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-/m1/s1 |
| InChIKey | YQEMAEKYNNOCBY-KQOIMZGSSA-N |
| Literature Reference Author | S.DU,W.LIU,B.LI,C.XIA |
| Literature Reference Citation | J.CHIN.PHARM.SCI.,11,59(2002) |
| Molecular Weight | 885.056 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWBT7326 |