| SpectraBase Compound ID | BBqJ6l5FvJh |
|---|---|
| InChI | InChI=1S/C40H56O23/c1-17(2)11-40(63-38-33(52)30(49)27(46)24(14-43)62-38,39(55)57-16-19-5-9-21(10-6-19)59-37-32(51)29(48)26(45)23(13-42)61-37)34(53)35(54)56-15-18-3-7-20(8-4-18)58-36-31(50)28(47)25(44)22(12-41)60-36/h3-10,17,22-34,36-38,41-53H,11-16H2,1-2H3/t22-,23+,24-,25-,26+,27-,28+,29-,30+,31-,32+,33-,34-,36-,37+,38+,40+/m0/s1 |
| InChIKey | KGCBATGZRGGGQG-GORDMJEDSA-N |
| Mol Weight | 904.9 g/mol |
| Molecular Formula | C40H56O23 |
| Exact Mass | 904.321238 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | vBzsCBuZny |
|---|---|
| Name | DACTYLORHIN-B;(2R,3S)-2-BETA-D-GLUCOPYRANOSYLOXY-3-HYDROXY-2-(2-METHYLPROPYL)-BUTANEDIOIC-ACID-BIS-(4-BETA-D-GLUCOPYRANOSYLOXYBENZYL)-ESTER |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H56O23 |
| InChI | InChI=1S/C40H56O23/c1-17(2)11-40(63-38-33(52)30(49)27(46)24(14-43)62-38,39(55)57-16-19-5-9-21(10-6-19)59-37-32(51)29(48)26(45)23(13-42)61-37)34(53)35(54)56-15-18-3-7-20(8-4-18)58-36-31(50)28(47)25(44)22(12-41)60-36/h3-10,17,22-34,36-38,41-53H,11-16H2,1-2H3/t22-,23+,24-,25-,26+,27-,28+,29-,30+,31-,32+,33-,34-,36-,37+,38+,40+/m0/s1 |
| InChIKey | KGCBATGZRGGGQG-GORDMJEDSA-N |
| Literature Reference Author | H.KIZU,E.I.KANEKO,T.TOMIMORI |
| Literature Reference Citation | CHEM.PHARM.BULL.,47,1618(1999) |
| Literature Reference DOI | 10.1248/cpb.47.1618 |
| Molecular Weight | 904.871 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU8423 |