| SpectraBase Compound ID | 30hMsXdDnJf |
|---|---|
| InChI | InChI=1S/C66H106O33/c1-23-11-16-66(61(87)99-58-48(83)41(76)38(73)30(93-58)22-88-55-49(84)45(80)50(29(21-69)92-55)95-56-46(81)39(74)35(70)25(3)89-56)18-17-64(7)26(34(66)24(23)2)9-10-32-63(6)14-13-33(62(4,5)31(63)12-15-65(32,64)8)94-60-53(44(79)43(78)51(96-60)54(85)86)98-59-52(42(77)37(72)28(20-68)91-59)97-57-47(82)40(75)36(71)27(19-67)90-57/h9,23-25,27-53,55-60,67-84H,10-22H2,1-8H3,(H,85,86)/t23-,24+,25-,27-,28-,29-,30-,31+,32-,33+,34+,35-,36-,37+,38-,39+,40+,41+,42+,43+,44+,45-,46+,47-,48-,49-,50-,51+,52-,53-,55-,56-,57+,58+,59+,60-,63+,64-,65-,66+/m1/s1 |
| InChIKey | NLIWGNYNSMLCGV-DPAUHNSVSA-N |
| Mol Weight | 1427.5 g/mol |
| Molecular Formula | C66H106O33 |
| Exact Mass | 1426.661636 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4lh1Nb02egb |
|---|---|
| Name | #9;SCHEFFURSOSIDE-E;3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL-URS-12-EN-28-OIC-ACID-28-O-ALPHA-L-RHAMNOPYRANOSY |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H106O33 |
| InChI | InChI=1S/C66H106O33/c1-23-11-16-66(61(87)99-58-48(83)41(76)38(73)30(93-58)22-88-55-49(84)45(80)50(29(21-69)92-55)95-56-46(81)39(74)35(70)25(3)89-56)18-17-64(7)26(34(66)24(23)2)9-10-32-63(6)14-13-33(62(4,5)31(63)12-15-65(32,64)8)94-60-53(44(79)43(78)51(96-60)54(85)86)98-59-52(42(77)37(72)28(20-68)91-59)97-57-47(82)40(75)36(71)27(19-67)90-57/h9,23-25,27-53,55-60,67-84H,10-22H2,1-8H3,(H,85,86)/t23-,24+,25-,27-,28-,29-,30-,31+,32-,33+,34+,35-,36-,37+,38-,39+,40+,41+,42+,43+,44+,45-,46+,47-,48-,49-,50-,51+,52-,53-,55-,56-,57+,58+,59+,60-,63+,64-,65-,66+/m1/s1 |
| InChIKey | NLIWGNYNSMLCGV-DPAUHNSVSA-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 | 1427.548 g/mol |
| Solvent | C5D5N:D2O |
| Source File Reference | UWLU24042 |