![#4;CAPSIANOSIDE-IX;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-ALP](/api/spectrum/HeaJnsD8SdF/structure.png?h=300&w=458 "#4;CAPSIANOSIDE-IX;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-ALP")
| SpectraBase Compound ID | H44PqX3IcEW |
|---|---|
| InChI | InChI=1S/C56H94O30/c1-8-56(7,86-55-49(85-54-44(72)39(67)35(63)29(19-58)80-54)46(74)47(30(20-59)81-55)83-53-43(71)38(66)34(62)28(18-57)79-53)17-11-16-24(3)13-9-12-23(2)14-10-15-25(4)21-75-51-45(73)40(68)48(84-52-42(70)37(65)33(61)27(6)78-52)31(82-51)22-76-50-41(69)36(64)32(60)26(5)77-50/h8,12,15-16,26-55,57-74H,1,9-11,13-14,17-22H2,2-7H3/b23-12+,24-16+,25-15-/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-/m1/s1 |
| InChIKey | YNXBNICISLIKLI-XGQIWXFLSA-N |
| Mol Weight | 1247.3 g/mol |
| Molecular Formula | C56H94O30 |
| Exact Mass | 1246.582992 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HeaJnsD8SdF |
|---|---|
| Name | #4;CAPSIANOSIDE-IX;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-ALP |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H94O30 |
| InChI | InChI=1S/C56H94O30/c1-8-56(7,86-55-49(85-54-44(72)39(67)35(63)29(19-58)80-54)46(74)47(30(20-59)81-55)83-53-43(71)38(66)34(62)28(18-57)79-53)17-11-16-24(3)13-9-12-23(2)14-10-15-25(4)21-75-51-45(73)40(68)48(84-52-42(70)37(65)33(61)27(6)78-52)31(82-51)22-76-50-41(69)36(64)32(60)26(5)77-50/h8,12,15-16,26-55,57-74H,1,9-11,13-14,17-22H2,2-7H3/b23-12+,24-16+,25-15-/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-/m1/s1 |
| InChIKey | YNXBNICISLIKLI-XGQIWXFLSA-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 | 1247.344 g/mol |
| Sample ID | 37305 |
| Solvent | CD3OD |