![#6;CAPSIANOSIDE-X;3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYL-17-HYDROXY-6-E,10-E,14-Z-(3S)-GERANYLLINALOOL-17-O-BETA](/api/spectrum/LJSaq9KFmDa/structure.png?h=300&w=458 "#6;CAPSIANOSIDE-X;3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYL-17-HYDROXY-6-E,10-E,14-Z-(3S)-GERANYLLINALOOL-17-O-BETA")
| SpectraBase Compound ID | 2cLGReQMIHY |
|---|---|
| InChI | InChI=1S/C56H94O31/c1-7-56(6,87-55-49(86-53-45(74)40(69)35(64)29(19-59)81-53)46(75)47(30(20-60)82-55)84-51-43(72)38(67)33(62)27(17-57)79-51)16-10-15-24(3)12-8-11-23(2)13-9-14-25(4)21-76-54-48(85-52-44(73)39(68)34(63)28(18-58)80-52)41(70)36(65)31(83-54)22-77-50-42(71)37(66)32(61)26(5)78-50/h7,11,14-15,26-55,57-75H,1,8-10,12-13,16-22H2,2-6H3/b23-11+,24-15+,25-14-/t26-,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-/m0/s1 |
| InChIKey | LIZVACWNHSZJPO-JJABRJDQSA-N |
| Mol Weight | 1263.3 g/mol |
| Molecular Formula | C56H94O31 |
| Exact Mass | 1262.577906 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LJSaq9KFmDa |
|---|---|
| Name | #6;CAPSIANOSIDE-X;3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYL-17-HYDROXY-6-E,10-E,14-Z-(3S)-GERANYLLINALOOL-17-O-BETA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H94O31 |
| InChI | InChI=1S/C56H94O31/c1-7-56(6,87-55-49(86-53-45(74)40(69)35(64)29(19-59)81-53)46(75)47(30(20-60)82-55)84-51-43(72)38(67)33(62)27(17-57)79-51)16-10-15-24(3)12-8-11-23(2)13-9-14-25(4)21-76-54-48(85-52-44(73)39(68)34(63)28(18-58)80-52)41(70)36(65)31(83-54)22-77-50-42(71)37(66)32(61)26(5)78-50/h7,11,14-15,26-55,57-75H,1,8-10,12-13,16-22H2,2-6H3/b23-11+,24-15+,25-14-/t26-,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-/m0/s1 |
| InChIKey | LIZVACWNHSZJPO-JJABRJDQSA-N |
| Literature Reference Author | J.H.LEE,N.KIYOTA,T.IKEDA,T.NOHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,1365(2006) |
| Literature Reference DOI | 10.1248/cpb.54.1365 |
| Molecular Weight | 1263.344 g/mol |
| Sample ID | 37307 |
| Solvent | CD3OD |