![MAESASAPONIN-V(2);3-BETA-O-[[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)]-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRAN](/api/spectrum/4XALZUE1V58/structure.png?h=300&w=458 "MAESASAPONIN-V(2);3-BETA-O-[[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)]-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRAN")
| SpectraBase Compound ID | 8Z5p9qT7VaA |
|---|---|
| InChI | InChI=1S/C64H100O29/c1-13-25(3)52(80)92-49-50(87-35(68)14-2)64-32(21-58(49,6)7)63(93-57(64)81)20-16-31-60(10)18-17-33(59(8,9)30(60)15-19-61(31,11)62(63,12)22-34(64)83-27(5)67)86-56-48(91-54-43(76)40(73)37(70)28(23-65)84-54)45(44(77)46(89-56)51(78)79)88-55-47(41(74)38(71)29(24-66)85-55)90-53-42(75)39(72)36(69)26(4)82-53/h13,26,28-34,36-50,53-57,65-66,69-77,81H,14-24H2,1-12H3,(H,78,79)/b25-13-/t26-,28-,29+,30?,31?,32?,33-,34+,36-,37+,38-,39+,40+,41-,42+,43-,44-,45-,46-,47+,48+,49-,50-,53-,54+,55-,56+,57+,60-,61+,62-,63-,64+/m0/s1 |
| InChIKey | HDOSLZZVLLPSRR-HSFCOHFWSA-N |
| Mol Weight | 1333.5 g/mol |
| Molecular Formula | C64H100O29 |
| Exact Mass | 1332.635027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4XALZUE1V58 |
|---|---|
| Name | MAESASAPONIN-V(2);3-BETA-O-[[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)]-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRAN |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H100O29 |
| InChI | InChI=1S/C64H100O29/c1-13-25(3)52(80)92-49-50(87-35(68)14-2)64-32(21-58(49,6)7)63(93-57(64)81)20-16-31-60(10)18-17-33(59(8,9)30(60)15-19-61(31,11)62(63,12)22-34(64)83-27(5)67)86-56-48(91-54-43(76)40(73)37(70)28(23-65)84-54)45(44(77)46(89-56)51(78)79)88-55-47(41(74)38(71)29(24-66)85-55)90-53-42(75)39(72)36(69)26(4)82-53/h13,26,28-34,36-50,53-57,65-66,69-77,81H,14-24H2,1-12H3,(H,78,79)/b25-13-/t26-,28-,29+,30?,31?,32?,33-,34+,36-,37+,38-,39+,40+,41-,42+,43-,44-,45-,46-,47+,48+,49-,50-,53-,54+,55-,56+,57+,60-,61+,62-,63-,64+/m0/s1 |
| InChIKey | HDOSLZZVLLPSRR-HSFCOHFWSA-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 | 1333.481 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN370 |