![#3;CAPSIANOSIDE-XIV;17-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSIDE-(6E,10E,14Z)-(3S)-19-HYDROXY-GERANYL-LINALOOL](/api/spectrum/AR6ytuG58TM/structure.png?h=300&w=458 "#3;CAPSIANOSIDE-XIV;17-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSIDE-(6E,10E,14Z)-(3S)-19-HYDROXY-GERANYL-LINALOOL")
| SpectraBase Compound ID | AS94xupJ8Cj |
|---|---|
| InChI | InChI=1S/C38H64O16/c1-7-38(6,48)16-10-15-24(17-39)14-9-12-20(2)11-8-13-21(3)18-49-36-33(47)30(44)34(54-37-32(46)29(43)27(41)23(5)52-37)25(53-36)19-50-35-31(45)28(42)26(40)22(4)51-35/h7,12-13,15,22-23,25-37,39-48H,1,8-11,14,16-19H2,2-6H3/b20-12+,21-13-,24-15-/t22-,23-,25-,26-,27-,28+,29+,30-,31+,32+,33-,34-,35+,36-,37-,38+/m0/s1 |
| InChIKey | WCALJGCPGKSKSU-CARYUXCKSA-N |
| Mol Weight | 776.9 g/mol |
| Molecular Formula | C38H64O16 |
| Exact Mass | 776.419436 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AR6ytuG58TM |
|---|---|
| Name | #3;CAPSIANOSIDE-XIV;17-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSIDE-(6E,10E,14Z)-(3S)-19-HYDROXY-GERANYL-LINALOOL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H64O16 |
| InChI | InChI=1S/C38H64O16/c1-7-38(6,48)16-10-15-24(17-39)14-9-12-20(2)11-8-13-21(3)18-49-36-33(47)30(44)34(54-37-32(46)29(43)27(41)23(5)52-37)25(53-36)19-50-35-31(45)28(42)26(40)22(4)51-35/h7,12-13,15,22-23,25-37,39-48H,1,8-11,14,16-19H2,2-6H3/b20-12+,21-13-,24-15-/t22-,23-,25-,26-,27-,28+,29+,30-,31+,32+,33-,34-,35+,36-,37-,38+/m0/s1 |
| InChIKey | WCALJGCPGKSKSU-CARYUXCKSA-N |
| Literature Reference Author | J.H.LEE,N.KIYOTA,T.IKEDA,T.NOHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,56,582(2008) |
| Literature Reference DOI | 10.1248/cpb.56.582 |
| Molecular Weight | 776.917 g/mol |
| Sample ID | 1547 |
| Solvent | CD3OD |