![MAESASAPONIN-VI(2);3-BETA-O-[[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)]-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRAN](/api/spectrum/LULTwJ1rCrG/structure.png?h=300&w=458 "MAESASAPONIN-VI(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 | HLKamVLV2NC |
|---|---|
| InChI | InChI=1S/C64H100O28/c1-13-25(3)51(79)90-48-49(91-52(80)26(4)14-2)64-32(21-58(48,6)7)63(92-57(64)81)20-16-31-60(10)18-17-34(59(8,9)30(60)15-19-61(31,11)62(63,12)22-33(64)67)85-56-47(89-54-42(75)39(72)36(69)28(23-65)83-54)44(43(76)45(87-56)50(77)78)86-55-46(40(73)37(70)29(24-66)84-55)88-53-41(74)38(71)35(68)27(5)82-53/h13-14,27-49,53-57,65-76,81H,15-24H2,1-12H3,(H,77,78)/b25-13-,26-14-/t27-,28-,29+,30?,31?,32?,33+,34-,35-,36+,37-,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48-,49-,53-,54+,55-,56+,57+,60-,61+,62-,63-,64+/m0/s1 |
| InChIKey | NTQUQUTWPVPTIF-QZRZOTSHSA-N |
| Mol Weight | 1317.5 g/mol |
| Molecular Formula | C64H100O28 |
| Exact Mass | 1316.640113 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LULTwJ1rCrG |
|---|---|
| Name | MAESASAPONIN-VI(2);3-BETA-O-[[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)]-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRAN |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H100O28 |
| InChI | InChI=1S/C64H100O28/c1-13-25(3)51(79)90-48-49(91-52(80)26(4)14-2)64-32(21-58(48,6)7)63(92-57(64)81)20-16-31-60(10)18-17-34(59(8,9)30(60)15-19-61(31,11)62(63,12)22-33(64)67)85-56-47(89-54-42(75)39(72)36(69)28(23-65)83-54)44(43(76)45(87-56)50(77)78)86-55-46(40(73)37(70)29(24-66)84-55)88-53-41(74)38(71)35(68)27(5)82-53/h13-14,27-49,53-57,65-76,81H,15-24H2,1-12H3,(H,77,78)/b25-13-,26-14-/t27-,28-,29+,30?,31?,32?,33+,34-,35-,36+,37-,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48-,49-,53-,54+,55-,56+,57+,60-,61+,62-,63-,64+/m0/s1 |
| InChIKey | NTQUQUTWPVPTIF-QZRZOTSHSA-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 | 1317.481 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN372 |