| SpectraBase Compound ID | 8NPJQPuiosB |
|---|---|
| InChI | InChI=1S/C50H84O25/c1-8-50(7,75-49-42(65)37(60)43(28(19-52)71-49)73-48-40(63)35(58)32(55)27(18-51)70-48)17-11-16-23(3)13-9-12-22(2)14-10-15-24(4)20-66-46-41(64)36(59)44(74-47-39(62)34(57)31(54)26(6)69-47)29(72-46)21-67-45-38(61)33(56)30(53)25(5)68-45/h8,12,15-16,25-49,51-65H,1,9-11,13-14,17-21H2,2-7H3/b22-12+,23-16+,24-15-/t25-,26-,27-,28-,29-,30-,31-,32-,33+,34+,35+,36-,37-,38+,39+,40-,41-,42-,43-,44-,45+,46-,47-,48+,49+,50-/m1/s1 |
| InChIKey | POOCBLPVPJVZBI-HMGDZNCDSA-N |
| Mol Weight | 1085.2 g/mol |
| Molecular Formula | C50H84O25 |
| Exact Mass | 1084.530168 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DGDVB46JMay |
|---|---|
| Name | #2;CAPSIANOSIDE-XIII;3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-O-BETA-D-GLUCOPYRANOSYL-17-HYDROXY-6-E,10-E,14-Z-(3S)-GERANYLLINALOOL-17-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-[ |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H84O25 |
| InChI | InChI=1S/C50H84O25/c1-8-50(7,75-49-42(65)37(60)43(28(19-52)71-49)73-48-40(63)35(58)32(55)27(18-51)70-48)17-11-16-23(3)13-9-12-22(2)14-10-15-24(4)20-66-46-41(64)36(59)44(74-47-39(62)34(57)31(54)26(6)69-47)29(72-46)21-67-45-38(61)33(56)30(53)25(5)68-45/h8,12,15-16,25-49,51-65H,1,9-11,13-14,17-21H2,2-7H3/b22-12+,23-16+,24-15-/t25-,26-,27-,28-,29-,30-,31-,32-,33+,34+,35+,36-,37-,38+,39+,40-,41-,42-,43-,44-,45+,46-,47-,48+,49+,50-/m1/s1 |
| InChIKey | POOCBLPVPJVZBI-HMGDZNCDSA-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 | 1085.202 g/mol |
| Sample ID | 37303 |
| Solvent | CD3OD |