| SpectraBase Compound ID | 4DzpKOOGvHm |
|---|---|
| InChI | InChI=1S/C34H46O19/c1-5-15-17(18(29(44)46-3)12-48-31(15)52-33-27(42)25(40)23(38)20(10-36)50-33)8-7-14(9-35)22-16(6-2)32(49-13-19(22)30(45)47-4)53-34-28(43)26(41)24(39)21(11-37)51-34/h5-7,9,12-13,15-17,20-28,31-34,36-43H,1-2,8,10-11H2,3-4H3/b14-7+/t15?,16?,17?,20-,21-,22?,23-,24-,25+,26+,27-,28-,31-,32-,33+,34+/m0/s1 |
| InChIKey | MWLKXILGJPSPKZ-ZQOYUKJESA-N |
| Mol Weight | 758.7 g/mol |
| Molecular Formula | C34H46O19 |
| Exact Mass | 758.263329 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1MpA8hGuEiO |
|---|---|
| Name | CENTAUROSIDE |
| Compound Number | 168 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C34H46O19/c1-5-15-17(18(29(44)46-3)12-48-31(15)52-33-27(42)25(40)23(38)20(10-36)50-33)8-7-14(9-35)22-16(6-2)32(49-13-19(22)30(45)47-4)53-34-28(43)26(41)24(39)21(11-37)51-34/h5-7,9,12-13,15-17,20-28,31-34,36-43H,1-2,8,10-11H2,3-4H3/b14-7+/t15?,16?,17?,20-,21-,22?,23-,24-,25+,26+,27-,28-,31-,32-,33+,34+/m0/s1 |
| InChIKey | MWLKXILGJPSPKZ-ZQOYUKJESA-N |
| Literature Reference | A.UR-RAHMAN,V.U.AHMAD NAT.PROD.VOL.1 |
| Solvent | Chloroform-d |