| SpectraBase Compound ID | CaRpZuIuJ0c |
|---|---|
| InChI | InChI=1S/C66H106O33/c1-24-34(70)38(74)45(81)55(89-24)95-49-29(22-69)92-54(48(84)44(49)80)88-23-30-37(73)40(76)47(83)57(93-30)99-60(87)66-17-15-61(2,3)19-26(66)25-9-10-32-63(6)13-12-33(62(4,5)31(63)11-14-65(32,8)64(25,7)16-18-66)94-59-52(43(79)42(78)50(96-59)53(85)86)98-58-51(41(77)36(72)28(21-68)91-58)97-56-46(82)39(75)35(71)27(20-67)90-56/h9,24,26-52,54-59,67-84H,10-23H2,1-8H3,(H,85,86)/t24-,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+,51-,52-,54-,55-,56+,57+,58+,59-,63+,64-,65-,66+/m1/s1 |
| InChIKey | DDDMOKRUFAPSQY-DIYHWUMCSA-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 | VGOJzDgOJO |
|---|---|
| Name | #10;SCHEFFOLEOSIDE-E;3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL-OLEAN-12-EN-28-OIC-ACID-28-O-ALPHA-L-RHAMNOPYRAN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H106O33 |
| InChI | InChI=1S/C66H106O33/c1-24-34(70)38(74)45(81)55(89-24)95-49-29(22-69)92-54(48(84)44(49)80)88-23-30-37(73)40(76)47(83)57(93-30)99-60(87)66-17-15-61(2,3)19-26(66)25-9-10-32-63(6)13-12-33(62(4,5)31(63)11-14-65(32,8)64(25,7)16-18-66)94-59-52(43(79)42(78)50(96-59)53(85)86)98-58-51(41(77)36(72)28(21-68)91-58)97-56-46(82)39(75)35(71)27(20-67)90-56/h9,24,26-52,54-59,67-84H,10-23H2,1-8H3,(H,85,86)/t24-,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+,51-,52-,54-,55-,56+,57+,58+,59-,63+,64-,65-,66+/m1/s1 |
| InChIKey | DDDMOKRUFAPSQY-DIYHWUMCSA-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 | UWLU24043 |