![MAESASAPONIN-II;3-BETA-O-[[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)]-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSY](/api/spectrum/F5bfys7hVtD/structure.png?h=300&w=458 "MAESASAPONIN-II;3-BETA-O-[[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)]-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSY")
| SpectraBase Compound ID | FVdqmk77VWF |
|---|---|
| InChI | InChI=1S/C61H96O28/c1-12-23(2)49(77)88-47-46(74)61-30(19-55(47,5)6)60(89-54(61)78)18-14-29-57(9)16-15-31(56(7,8)28(57)13-17-58(29,10)59(60,11)20-32(61)80-25(4)64)83-53-45(87-51-40(72)37(69)34(66)26(21-62)81-51)42(41(73)43(85-53)48(75)76)84-52-44(38(70)35(67)27(22-63)82-52)86-50-39(71)36(68)33(65)24(3)79-50/h12,24,26-47,50-54,62-63,65-74,78H,13-22H2,1-11H3,(H,75,76)/b23-12-/t24-,26-,27+,28?,29?,30?,31-,32-,33-,34+,35-,36+,37+,38-,39+,40-,41-,42-,43-,44+,45+,46-,47-,50-,51+,52-,53+,54+,57-,58+,59-,60-,61+/m0/s1 |
| InChIKey | DBHZIMHHQYESHE-HYJMKTOPSA-N |
| Mol Weight | 1277.4 g/mol |
| Molecular Formula | C61H96O28 |
| Exact Mass | 1276.608812 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F5bfys7hVtD |
|---|---|
| Name | MAESASAPONIN-II;3-BETA-O-[[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)]-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSY |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H96O28 |
| InChI | InChI=1S/C61H96O28/c1-12-23(2)49(77)88-47-46(74)61-30(19-55(47,5)6)60(89-54(61)78)18-14-29-57(9)16-15-31(56(7,8)28(57)13-17-58(29,10)59(60,11)20-32(61)80-25(4)64)83-53-45(87-51-40(72)37(69)34(66)26(21-62)81-51)42(41(73)43(85-53)48(75)76)84-52-44(38(70)35(67)27(22-63)82-52)86-50-39(71)36(68)33(65)24(3)79-50/h12,24,26-47,50-54,62-63,65-74,78H,13-22H2,1-11H3,(H,75,76)/b23-12-/t24-,26-,27+,28?,29?,30?,31-,32-,33-,34+,35-,36+,37+,38-,39+,40-,41-,42-,43-,44+,45+,46-,47-,50-,51+,52-,53+,54+,57-,58+,59-,60-,61+/m0/s1 |
| InChIKey | DBHZIMHHQYESHE-HYJMKTOPSA-N |
| Literature Reference Author | S.APERS,T.E.D.BRUYNE,M.CLAEYS,A.J.VLIETINCK,L.A.C.PIETERS |
| Literature Reference Citation | PHYTOCHEM.,52,1121(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00352-0 |
| Molecular Weight | 1277.416 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN366 |