![#3;ISOSOLASUAVEOLINE;(25R)-3-BETA-[O-BETA-G-GLUCOPYRANOSYL-(1->6)-O-BETA-G-GLUCOPYRANOSYL-(1->3)-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-GALACTOPYRANOSYLOXY]](/api/spectrum/4OqhNaYxYEa/structure.png?h=300&w=458 "#3;ISOSOLASUAVEOLINE;(25R)-3-BETA-[O-BETA-G-GLUCOPYRANOSYL-(1->6)-O-BETA-G-GLUCOPYRANOSYL-(1->3)-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-GALACTOPYRANOSYLOXY]")
| SpectraBase Compound ID | 11fPMQs9PgK |
|---|---|
| InChI | InChI=1S/C51H83NO21/c1-20-8-13-51(52-16-20)21(2)32-28(73-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)67-48-44(72-46-41(63)37(59)33(55)22(3)66-46)43(36(58)30(18-54)69-48)71-47-42(64)39(61)35(57)31(70-47)19-65-45-40(62)38(60)34(56)29(17-53)68-45/h6,20-22,24-48,52-64H,7-19H2,1-5H3/t20-,21+,22-,24+,25-,26+,27+,28+,29-,30-,31-,32+,33-,34-,35-,36+,37+,38+,39+,40-,41+,42-,43+,44-,45-,46-,47+,48-,49+,50+,51-/m1/s1 |
| InChIKey | MIWWXVRRXZVTMU-CLSWBDAVSA-N |
| Mol Weight | 1046.2 g/mol |
| Molecular Formula | C51H83NO21 |
| Exact Mass | 1045.545759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4OqhNaYxYEa |
|---|---|
| Name | #3;ISOSOLASUAVEOLINE;(25R)-3-BETA-[O-BETA-G-GLUCOPYRANOSYL-(1->6)-O-BETA-G-GLUCOPYRANOSYL-(1->3)-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-GALACTOPYRANOSYLOXY] |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H83NO21 |
| InChI | InChI=1S/C51H83NO21/c1-20-8-13-51(52-16-20)21(2)32-28(73-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)67-48-44(72-46-41(63)37(59)33(55)22(3)66-46)43(36(58)30(18-54)69-48)71-47-42(64)39(61)35(57)31(70-47)19-65-45-40(62)38(60)34(56)29(17-53)68-45/h6,20-22,24-48,52-64H,7-19H2,1-5H3/t20-,21+,22-,24+,25-,26+,27+,28+,29-,30-,31-,32+,33-,34-,35-,36+,37+,38+,39+,40-,41+,42-,43+,44-,45-,46-,47+,48-,49+,50+,51-/m1/s1 |
| InChIKey | MIWWXVRRXZVTMU-CLSWBDAVSA-N |
| Literature Reference Author | H.RIPPERGER,A.PORZEL |
| Literature Reference Citation | PHYTOCHEM.,46,1279(1997) |
| Literature Reference DOI | 10.1016/s0031-9422(97)80027-1 |
| Molecular Weight | 1046.214 g/mol |
| Sample ID | 65520 |
| Solvent | C5D5N:CD3OD=19:1 |