| SpectraBase Compound ID | 7uGG7pBaxsa |
|---|---|
| InChI | InChI=1S/C50H82O23/c1-19-7-10-50(65-17-19)20(2)32-28(73-50)12-24-22-6-5-21-11-27(25(54)13-49(21,4)23(22)8-9-48(24,32)3)66-45-40(63)37(60)41(31(16-53)69-45)70-47-43(72-46-39(62)36(59)34(57)29(14-51)67-46)42(35(58)30(15-52)68-47)71-44-38(61)33(56)26(55)18-64-44/h19-47,51-63H,5-18H2,1-4H3/t19-,20+,21+,22?,23?,24?,25-,26+,27-,28?,29-,30-,31+,32?,33-,34+,35-,36+,37+,38+,39-,40+,41-,42+,43-,44-,45+,46+,47+,48+,49+,50-/m1/s1 |
| InChIKey | AULWDENWMBJIIQ-FZKSOIIASA-N |
| Mol Weight | 1051.2 g/mol |
| Molecular Formula | C50H82O23 |
| Exact Mass | 1050.524689 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5RDbvV5sLEL |
|---|---|
| Name | GITONIN |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H82O23 |
| InChI | InChI=1S/C50H82O23/c1-19-7-10-50(65-17-19)20(2)32-28(73-50)12-24-22-6-5-21-11-27(25(54)13-49(21,4)23(22)8-9-48(24,32)3)66-45-40(63)37(60)41(31(16-53)69-45)70-47-43(72-46-39(62)36(59)34(57)29(14-51)67-46)42(35(58)30(15-52)68-47)71-44-38(61)33(56)26(55)18-64-44/h19-47,51-63H,5-18H2,1-4H3/t19-,20+,21+,22?,23?,24?,25-,26+,27-,28?,29-,30-,31+,32?,33-,34+,35-,36+,37+,38+,39-,40+,41-,42+,43-,44-,45+,46+,47+,48+,49+,50-/m1/s1 |
| InChIKey | AULWDENWMBJIIQ-FZKSOIIASA-N |
| Literature Reference Author | T.INOUE,Y.MIMAKI,Y.SASHIDA,T.NIKAIDO,T.OHMOTO |
| Literature Reference Citation | PHYTOCHEM.,39,1103(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00117-P |
| Molecular Weight | 1051.187 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ9065 |