| SpectraBase Compound ID | LR32f4UMeGd |
|---|---|
| InChI | InChI=1S/C48H76O19/c1-21-29(51)31(53)34(56)39(63-21)66-37-24(19-49)64-38(36(58)33(37)55)62-20-25-30(52)32(54)35(57)40(65-25)67-42(61)48-16-14-43(2,3)18-23(48)22-8-9-26-44(4)12-11-28(50)47(7,41(59)60)27(44)10-13-46(26,6)45(22,5)15-17-48/h8,21,23-40,49-58H,9-20H2,1-7H3,(H,59,60)/t21-,23+,24-,25-,26-,27-,28-,29-,30-,31+,32+,33-,34+,35-,36-,37-,38-,39-,40+,44-,45-,46-,47+,48+/m1/s1 |
| InChIKey | LEXLFIULVWKBPT-ARWJMLNESA-N |
| Mol Weight | 957.1 g/mol |
| Molecular Formula | C48H76O19 |
| Exact Mass | 956.49808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LHAjen9RmyU |
|---|---|
| Name | #8;SCHEFFOLEOSIDE-D;3-ALPHA-HYDROXY-OLEAN-12-ENE-23,28-DIOIC-ACID-28-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O19 |
| InChI | InChI=1S/C48H76O19/c1-21-29(51)31(53)34(56)39(63-21)66-37-24(19-49)64-38(36(58)33(37)55)62-20-25-30(52)32(54)35(57)40(65-25)67-42(61)48-16-14-43(2,3)18-23(48)22-8-9-26-44(4)12-11-28(50)47(7,41(59)60)27(44)10-13-46(26,6)45(22,5)15-17-48/h8,21,23-40,49-58H,9-20H2,1-7H3,(H,59,60)/t21-,23+,24-,25-,26-,27-,28-,29-,30-,31+,32+,33-,34+,35-,36-,37-,38-,39-,40+,44-,45-,46-,47+,48+/m1/s1 |
| InChIKey | LEXLFIULVWKBPT-ARWJMLNESA-N |
| Literature Reference Author | C.MAEDA,K.OHTANI,R.KASAI,K.YAMASSAKI,N.M.DUC,N.T.NHAM,N.K.Q. CU |
| Literature Reference Citation | PHYTOCHEM.,37,1131(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89543-6 |
| Molecular Weight | 957.120 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU24041 |