| SpectraBase Compound ID | L6gAEH9OIcA |
|---|---|
| InChI | InChI=1S/C31H42O13/c1-39-23-13-17-4-2-3-5-19(9-6-18-7-10-20(33)22(12-18)43-21(23)11-8-17)42-29-27(36)26(35)25(34)24(44-29)14-40-30-28(37)31(38,15-32)16-41-30/h7-8,10-13,19,24-30,32-38H,2-6,9,14-16H2,1H3/t19?,24-,25-,26+,27-,28+,29-,30-,31-/m1/s1 |
| InChIKey | QSSDWEKWWFFHBL-OOJMUNNZSA-N |
| Mol Weight | 622.7 g/mol |
| Molecular Formula | C31H42O13 |
| Exact Mass | 622.262541 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1TegZ1cQTDA |
|---|---|
| Name | 16-METHOXY-ACEROGENIN-B-9-O-BETA-D-APIOFURANOSYL-6-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 91 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H42O13 |
| InChI | InChI=1S/C31H42O13/c1-39-23-13-17-4-2-3-5-19(9-6-18-7-10-20(33)22(12-18)43-21(23)11-8-17)42-29-27(36)26(35)25(34)24(44-29)14-40-30-28(37)31(38,15-32)16-41-30/h7-8,10-13,19,24-30,32-38H,2-6,9,14-16H2,1H3/t19?,24-,25-,26+,27-,28+,29-,30-,31-/m1/s1 |
| InChIKey | QSSDWEKWWFFHBL-OOJMUNNZSA-N |
| Literature Reference Author | H.LV,G.SHE |
| Literature Reference Citation | REC.NAT.PROD.,6,321(2012) |
| Molecular Weight | 622.667 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWBT15336 |