| SpectraBase Compound ID | Eyyt16F0aYp |
|---|---|
| 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-/m1/s1 |
| InChIKey | MWLKXILGJPSPKZ-AVFLSMDFSA-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 | LxRcTYDM9hv |
|---|---|
| Name | CENTAUROSIDE |
| Compound Number | 211 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H46O19 |
| 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-/m1/s1 |
| InChIKey | MWLKXILGJPSPKZ-AVFLSMDFSA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,54,1173(1991) |
| Literature Reference DOI | 10.1021/np50077a001 |
| Molecular Weight | 758.728 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS4512 |