| SpectraBase Compound ID | HDqgCAVa8U |
|---|---|
| InChI | InChI=1S/C51H86O26/c1-8-51(6,77-50-44(67-7)42(66)43(29(20-54)73-50)75-47-40(64)36(60)32(56)27(18-52)71-47)17-11-16-24(3)13-9-12-23(2)14-10-15-25(4)21-68-49-45(76-48-41(65)37(61)33(57)28(19-53)72-48)38(62)34(58)30(74-49)22-69-46-39(63)35(59)31(55)26(5)70-46/h8,12,15-16,26-50,52-66H,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-/m0/s1 |
| InChIKey | VHBXZOBAUUXTAQ-XWALICMWSA-N |
| Mol Weight | 1115.2 g/mol |
| Molecular Formula | C51H86O26 |
| Exact Mass | 1114.540733 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EmJmke57YW7 |
|---|---|
| Name | #7;CAPSIANOSIDE-VIII;3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-17-HYDROXY-6-E,10-E,14-Z-(3S)-GERANYLLINALOOL-17-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[AL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H86O26 |
| InChI | InChI=1S/C51H86O26/c1-8-51(6,77-50-44(67-7)42(66)43(29(20-54)73-50)75-47-40(64)36(60)32(56)27(18-52)71-47)17-11-16-24(3)13-9-12-23(2)14-10-15-25(4)21-68-49-45(76-48-41(65)37(61)33(57)28(19-53)72-48)38(62)34(58)30(74-49)22-69-46-39(63)35(59)31(55)26(5)70-46/h8,12,15-16,26-50,52-66H,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-/m0/s1 |
| InChIKey | VHBXZOBAUUXTAQ-XWALICMWSA-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 | 1115.228 g/mol |
| Sample ID | 37308 |
| Solvent | CD3OD |