| SpectraBase Compound ID | lXobxkrq6i |
|---|---|
| InChI | InChI=1S/C61H100O28/c1-24-34(66)38(70)44(76)51(80-24)87-48-41(73)37(69)29(22-64)83-54(48)89-49-43(75)42(74)46(50(78)79-9)86-55(49)84-32-13-14-58(5)30(59(32,6)23-65)12-15-61(8)31(58)11-10-25-26-18-56(2,3)19-33(57(26,4)16-17-60(25,61)7)85-53-47(40(72)36(68)28(21-63)82-53)88-52-45(77)39(71)35(67)27(20-62)81-52/h10,24,26-49,51-55,62-77H,11-23H2,1-9H3/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+,51-,52+,53+,54-,55+,57+,58-,59+,60+,61+/m0/s1 |
| InChIKey | CBXGFQYSWIRARS-JOZSKCKLSA-N |
| Mol Weight | 1281.4 g/mol |
| Molecular Formula | C61H100O28 |
| Exact Mass | 1280.640113 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | ICHj82gFIxn |
|---|---|
| Name | BERSIMOSIDE-I-METHYLESTER;3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL-SOYASAPOGENOL-B-METHYLESTER-2 |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H100O28 |
| InChI | InChI=1S/C61H100O28/c1-24-34(66)38(70)44(76)51(80-24)87-48-41(73)37(69)29(22-64)83-54(48)89-49-43(75)42(74)46(50(78)79-9)86-55(49)84-32-13-14-58(5)30(59(32,6)23-65)12-15-61(8)31(58)11-10-25-26-18-56(2,3)19-33(57(26,4)16-17-60(25,61)7)85-53-47(40(72)36(68)28(21-63)82-53)88-52-45(77)39(71)35(67)27(20-62)81-52/h10,24,26-49,51-55,62-77H,11-23H2,1-9H3/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+,51-,52+,53+,54-,55+,57+,58-,59+,60+,61+/m0/s1 |
| InChIKey | CBXGFQYSWIRARS-JOZSKCKLSA-N |
| Literature Reference Author | K.M.MOHAMED,K.OHTANI,R.KASAI,K.YAMASAKI |
| Literature Reference Citation | PHYTOCHEM.,40,1237(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00430-F |
| Molecular Weight | 1281.448 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS2829 |