![TACACOSIDE-B2;3-O-[BETA-D-GLUCOPYRANOSYL]-BAYOGENIN-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-[BETA-D-XYLOPYRANOSYL-(1->3)]-](/api/spectrum/CmpMsHiFJax/structure.png?h=300&w=458 "TACACOSIDE-B2;3-O-[BETA-D-GLUCOPYRANOSYL]-BAYOGENIN-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-[BETA-D-XYLOPYRANOSYL-(1->3)]-")
| SpectraBase Compound ID | KKldrVCcyJE |
|---|---|
| InChI | InChI=1S/C63H102O30/c1-24-35(70)39(74)42(77)53(85-24)89-47-31(69)22-83-52(44(47)79)88-46-25(2)86-55(45(80)48(46)90-51-41(76)36(71)29(67)20-82-51)91-49-37(72)30(68)21-84-56(49)93-57(81)63-15-13-58(3,4)17-27(63)26-9-10-34-59(5)18-28(66)50(92-54-43(78)40(75)38(73)32(19-64)87-54)60(6,23-65)33(59)11-12-62(34,8)61(26,7)14-16-63/h9,24-25,27-56,64-80H,10-23H2,1-8H3/t24-,25-,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-,52-,53-,54-,55-,56-,59?,60-,61?,62?,63-/m0/s1 |
| InChIKey | KJAJLLNLFXDVRA-HNKMHDANSA-N |
| Mol Weight | 1339.5 g/mol |
| Molecular Formula | C63H102O30 |
| Exact Mass | 1338.645592 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CmpMsHiFJax |
|---|---|
| Name | TACACOSIDE-B2;3-O-[BETA-D-GLUCOPYRANOSYL]-BAYOGENIN-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-[BETA-D-XYLOPYRANOSYL-(1->3)]- |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H102O30 |
| InChI | InChI=1S/C63H102O30/c1-24-35(70)39(74)42(77)53(85-24)89-47-31(69)22-83-52(44(47)79)88-46-25(2)86-55(45(80)48(46)90-51-41(76)36(71)29(67)20-82-51)91-49-37(72)30(68)21-84-56(49)93-57(81)63-15-13-58(3,4)17-27(63)26-9-10-34-59(5)18-28(66)50(92-54-43(78)40(75)38(73)32(19-64)87-54)60(6,23-65)33(59)11-12-62(34,8)61(26,7)14-16-63/h9,24-25,27-56,64-80H,10-23H2,1-8H3/t24-,25-,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-,52-,53-,54-,55-,56-,59?,60-,61?,62?,63-/m0/s1 |
| InChIKey | KJAJLLNLFXDVRA-HNKMHDANSA-N |
| Literature Reference Author | V.H.CASTRO,E.RAMIREZ,G.A.MORA,Y.IWASE,T.NAGAO,H.OKABE,H.MATS UNAGA,M.KATANO,M.MOR |
| Literature Reference Citation | CHEM.PHARM.BULL.,45,349(1997) |
| Literature Reference DOI | 10.1248/cpb.45.349 |
| Molecular Weight | 1339.485 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN28746 |