| SpectraBase Compound ID | 8aGk25Brwhy |
|---|---|
| InChI | InChI=1S/C63H94O27/c1-29-51(87-44-25-37(78-8)52(30(2)81-44)88-58-50(73)55(79-9)53(31(3)82-58)89-57-49(72)47(70)54(39(28-65)85-57)90-56-48(71)46(69)45(68)38(27-64)84-56)36(77-7)24-43(80-29)83-35-18-19-59(5)34(23-35)17-20-62(75)40(59)26-41(86-42(67)16-15-33-13-11-10-12-14-33)60(6)61(74,32(4)66)21-22-63(60,62)76/h10-17,29-31,35-41,43-58,64-65,68-76H,18-28H2,1-9H3/b16-15+/t29-,30+,31-,35+,36+,37-,38-,39+,40?,41-,43+,44-,45-,46+,47+,48-,49+,50-,51-,52+,53-,54+,55-,56+,57-,58+,59+,60-,61-,62+,63-/m1/s1 |
| InChIKey | VCIOSRIGGRVAII-AESNTDJCSA-N |
| Mol Weight | 1283.4 g/mol |
| Molecular Formula | C63H94O27 |
| Exact Mass | 1282.598248 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AHVCNom8C3Z |
|---|---|
| Name | ALPINOSIDE-A;KIDJOLANIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)- |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H94O27 |
| InChI | InChI=1S/C63H94O27/c1-29-51(87-44-25-37(78-8)52(30(2)81-44)88-58-50(73)55(79-9)53(31(3)82-58)89-57-49(72)47(70)54(39(28-65)85-57)90-56-48(71)46(69)45(68)38(27-64)84-56)36(77-7)24-43(80-29)83-35-18-19-59(5)34(23-35)17-20-62(75)40(59)26-41(86-42(67)16-15-33-13-11-10-12-14-33)60(6)61(74,32(4)66)21-22-63(60,62)76/h10-17,29-31,35-41,43-58,64-65,68-76H,18-28H2,1-9H3/b16-15+/t29-,30+,31-,35+,36+,37-,38-,39+,40?,41-,43+,44-,45-,46+,47+,48-,49+,50-,51-,52+,53-,54+,55-,56+,57-,58+,59+,60-,61-,62+,63-/m1/s1 |
| InChIKey | VCIOSRIGGRVAII-AESNTDJCSA-N |
| Literature Reference Author | A.I.HAMED,M.G.SHEDED,A.E.S.M.SHAHEEN,F.A.HAMADA,C.PIZZA,S.PI ACENTE |
| Literature Reference Citation | PHYTOCHEM.,65,975(2004) |
| Literature Reference DOI | 10.1016/j.phytochem.2004.01.022 |
| Molecular Weight | 1283.423 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN31267 |