| SpectraBase Compound ID | AxesWHH8PWn |
|---|---|
| InChI | InChI=1S/C33H55NO7/c1-17-5-8-24(34-15-17)18(2)27-25(36)14-23-21-7-6-19-13-20(9-11-32(19,3)22(21)10-12-33(23,27)4)40-31-30(39)29(38)28(37)26(16-35)41-31/h6,17-18,20-31,34-39H,5,7-16H2,1-4H3/t17?,18-,20?,21?,22?,23?,24+,25-,26-,27?,28-,29+,30-,31-,32+,33+/m1/s1 |
| InChIKey | LXITVHCOOLDNBB-UCIRDYDWSA-N |
| Mol Weight | 577.8 g/mol |
| Molecular Formula | C33H55NO7 |
| Exact Mass | 577.397853 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FI67JrIALFR |
|---|---|
| Name | CAPSIMINE-3-O-BETA-D-GLUCOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H55NO7 |
| InChI | InChI=1S/C33H55NO7/c1-17-5-8-24(34-15-17)18(2)27-25(36)14-23-21-7-6-19-13-20(9-11-32(19,3)22(21)10-12-33(23,27)4)40-31-30(39)29(38)28(37)26(16-35)41-31/h6,17-18,20-31,34-39H,5,7-16H2,1-4H3/t17?,18-,20?,21?,22?,23?,24+,25-,26-,27?,28-,29+,30-,31-,32+,33+/m1/s1 |
| InChIKey | LXITVHCOOLDNBB-UCIRDYDWSA-N |
| Literature Reference Author | K.H.GAN,C.N.LIN,S.J.WON |
| Literature Reference Citation | J.NAT.PROD.,56,15(1993) |
| Literature Reference DOI | 10.1021/np50091a003 |
| Molecular Weight | 577.802 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWTS900 |