![MAESASAPONIN-IV(2);3-BETA-O-[[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)]-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRAN](/api/spectrum/8FNsW2W9u6q/structure.png?h=300&w=458 "MAESASAPONIN-IV(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 | IhJs3MkPFqr |
|---|---|
| InChI | InChI=1S/C63H98O29/c1-13-24(2)51(79)91-48-49(83-27(5)67)63-32(20-57(48,6)7)62(92-56(63)80)19-15-31-59(10)17-16-33(58(8,9)30(59)14-18-60(31,11)61(62,12)21-34(63)82-26(4)66)86-55-47(90-53-42(75)39(72)36(69)28(22-64)84-53)44(43(76)45(88-55)50(77)78)87-54-46(40(73)37(70)29(23-65)85-54)89-52-41(74)38(71)35(68)25(3)81-52/h13,25,28-49,52-56,64-65,68-76,80H,14-23H2,1-12H3,(H,77,78)/b24-13-/t25-,28-,29+,30?,31?,32?,33-,34+,35-,36+,37-,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48-,49-,52-,53+,54-,55+,56+,59-,60+,61-,62-,63+/m0/s1 |
| InChIKey | YUIUCMBNDXFYQY-QTJCHMGOSA-N |
| Mol Weight | 1319.4 g/mol |
| Molecular Formula | C63H98O29 |
| Exact Mass | 1318.619377 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8FNsW2W9u6q |
|---|---|
| Name | MAESASAPONIN-IV(2);3-BETA-O-[[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)]-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRAN |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H98O29 |
| InChI | InChI=1S/C63H98O29/c1-13-24(2)51(79)91-48-49(83-27(5)67)63-32(20-57(48,6)7)62(92-56(63)80)19-15-31-59(10)17-16-33(58(8,9)30(59)14-18-60(31,11)61(62,12)21-34(63)82-26(4)66)86-55-47(90-53-42(75)39(72)36(69)28(22-64)84-53)44(43(76)45(88-55)50(77)78)87-54-46(40(73)37(70)29(23-65)85-54)89-52-41(74)38(71)35(68)25(3)81-52/h13,25,28-49,52-56,64-65,68-76,80H,14-23H2,1-12H3,(H,77,78)/b24-13-/t25-,28-,29+,30?,31?,32?,33-,34+,35-,36+,37-,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48-,49-,52-,53+,54-,55+,56+,59-,60+,61-,62-,63+/m0/s1 |
| InChIKey | YUIUCMBNDXFYQY-QTJCHMGOSA-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 | 1319.454 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN368 |