![MAESASAPONIN-V(3);3-BETA-O-[[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)]-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRAN](/api/spectrum/8Lk3Nmy6vJg/structure.png?h=300&w=458 "MAESASAPONIN-V(3);3-BETA-O-[[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)]-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRAN")
| SpectraBase Compound ID | GcYOqyfVBB8 |
|---|---|
| InChI | InChI=1S/C63H100O28/c1-12-14-34(67)85-49-48(90-51(79)25(3)13-2)57(5,6)21-31-62-20-16-30-59(9)18-17-33(58(7,8)29(59)15-19-60(30,10)61(62,11)22-32(66)63(31,49)56(80)91-62)84-55-47(89-53-42(75)39(72)36(69)27(23-64)82-53)44(43(76)45(87-55)50(77)78)86-54-46(40(73)37(70)28(24-65)83-54)88-52-41(74)38(71)35(68)26(4)81-52/h13,26-33,35-49,52-56,64-66,68-76,80H,12,14-24H2,1-11H3,(H,77,78)/b25-13-/t26-,27-,28+,29?,30?,31?,32+,33-,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 | QBRSLZPXYLJLOP-OJQHPTBJSA-N |
| Mol Weight | 1305.5 g/mol |
| Molecular Formula | C63H100O28 |
| Exact Mass | 1304.640113 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Lk3Nmy6vJg |
|---|---|
| Name | MAESASAPONIN-V(3);3-BETA-O-[[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)]-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRAN |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H100O28 |
| InChI | InChI=1S/C63H100O28/c1-12-14-34(67)85-49-48(90-51(79)25(3)13-2)57(5,6)21-31-62-20-16-30-59(9)18-17-33(58(7,8)29(59)15-19-60(30,10)61(62,11)22-32(66)63(31,49)56(80)91-62)84-55-47(89-53-42(75)39(72)36(69)27(23-64)82-53)44(43(76)45(87-55)50(77)78)86-54-46(40(73)37(70)28(24-65)83-54)88-52-41(74)38(71)35(68)26(4)81-52/h13,26-33,35-49,52-56,64-66,68-76,80H,12,14-24H2,1-11H3,(H,77,78)/b25-13-/t26-,27-,28+,29?,30?,31?,32+,33-,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 | QBRSLZPXYLJLOP-OJQHPTBJSA-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 | 1305.470 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN371 |