| SpectraBase Compound ID | Djr8lCZswtH |
|---|---|
| InChI | InChI=1S/C63H94O26/c1-30-53(86-46-25-38(77-8)54(31(2)80-46)87-47-26-39(78-9)55(32(3)81-47)88-58-52(72)50(70)56(41(29-65)84-58)89-57-51(71)49(69)48(68)40(28-64)83-57)37(76-7)24-45(79-30)82-36-18-19-59(5)35(23-36)17-20-62(74)42(59)27-43(85-44(67)16-15-34-13-11-10-12-14-34)60(6)61(73,33(4)66)21-22-63(60,62)75/h10-17,30-32,36-43,45-58,64-65,68-75H,18-29H2,1-9H3/b16-15+/t30-,31+,32-,36+,37+,38-,39-,40-,41+,42?,43-,45+,46-,47+,48-,49+,50+,51-,52+,53-,54+,55-,56+,57+,58-,59+,60-,61-,62+,63-/m1/s1 |
| InChIKey | YPYLYENYJGSTFI-CPSBKXMLSA-N |
| Mol Weight | 1267.4 g/mol |
| Molecular Formula | C63H94O26 |
| Exact Mass | 1266.603333 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KKlfL8aAGai |
|---|---|
| Name | ALPINOSIDE-C;KIDJOLANIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4) |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H94O26 |
| InChI | InChI=1S/C63H94O26/c1-30-53(86-46-25-38(77-8)54(31(2)80-46)87-47-26-39(78-9)55(32(3)81-47)88-58-52(72)50(70)56(41(29-65)84-58)89-57-51(71)49(69)48(68)40(28-64)83-57)37(76-7)24-45(79-30)82-36-18-19-59(5)35(23-36)17-20-62(74)42(59)27-43(85-44(67)16-15-34-13-11-10-12-14-34)60(6)61(73,33(4)66)21-22-63(60,62)75/h10-17,30-32,36-43,45-58,64-65,68-75H,18-29H2,1-9H3/b16-15+/t30-,31+,32-,36+,37+,38-,39-,40-,41+,42?,43-,45+,46-,47+,48-,49+,50+,51-,52+,53-,54+,55-,56+,57+,58-,59+,60-,61-,62+,63-/m1/s1 |
| InChIKey | YPYLYENYJGSTFI-CPSBKXMLSA-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 | 1267.424 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN31269 |