![#5;CAPSIANOSIDE-XVI;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-BE](/api/spectrum/d7zAz8buP/structure.png?h=300&w=458 "#5;CAPSIANOSIDE-XVI;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-BE")
| SpectraBase Compound ID | 54CDVpTrnlV |
|---|---|
| InChI | InChI=1S/C62H104O35/c1-8-62(7,97-61-54(96-60-47(80)41(74)37(70)31(20-65)90-60)50(83)52(32(21-66)91-61)94-59-46(79)40(73)36(69)30(19-64)89-59)17-11-16-25(3)13-9-12-24(2)14-10-15-26(4)22-84-56-48(81)43(76)53(33(92-56)23-85-55-44(77)38(71)34(67)27(5)86-55)95-57-49(82)42(75)51(28(6)87-57)93-58-45(78)39(72)35(68)29(18-63)88-58/h8,12,15-16,27-61,63-83H,1,9-11,13-14,17-23H2,2-7H3/b24-12+,25-16+,26-15-/t27-,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-,57-,58+,59-,60-,61-,62-/m0/s1 |
| InChIKey | FACCHJQUIWTMKE-CGWNQYPMSA-N |
| Mol Weight | 1409.5 g/mol |
| Molecular Formula | C62H104O35 |
| Exact Mass | 1408.635815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | d7zAz8buP |
|---|---|
| Name | #5;CAPSIANOSIDE-XVI;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-BE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H104O35 |
| InChI | InChI=1S/C62H104O35/c1-8-62(7,97-61-54(96-60-47(80)41(74)37(70)31(20-65)90-60)50(83)52(32(21-66)91-61)94-59-46(79)40(73)36(69)30(19-64)89-59)17-11-16-25(3)13-9-12-24(2)14-10-15-26(4)22-84-56-48(81)43(76)53(33(92-56)23-85-55-44(77)38(71)34(67)27(5)86-55)95-57-49(82)42(75)51(28(6)87-57)93-58-45(78)39(72)35(68)29(18-63)88-58/h8,12,15-16,27-61,63-83H,1,9-11,13-14,17-23H2,2-7H3/b24-12+,25-16+,26-15-/t27-,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-,57-,58+,59-,60-,61-,62-/m0/s1 |
| InChIKey | FACCHJQUIWTMKE-CGWNQYPMSA-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 | 1409.487 g/mol |
| Sample ID | 37306 |
| Solvent | CD3OD |