| SpectraBase Compound ID | 9u0uaWhNsg2 |
|---|---|
| InChI | InChI=1S/C28H35ClN2O12/c1-14(29)9-7-5-3-2-4-6-8-10-16(32)20-21(36)15(11-19(30)35)31(26(20)40)27-25(23(38)18(34)12-41-27)43-28-24(39)22(37)17(33)13-42-28/h2-10,15,17-18,22-25,27-28,32-34,37-39H,11-13H2,1H3,(H2,30,35)/b3-2+,6-4+,7-5+,10-8+,14-9-,20-16-/t15-,17-,18+,22-,23-,24+,25+,27+,28+/m1/s1 |
| InChIKey | LIMKXWLGCNDCHO-ZGEGPHTQSA-N |
| Mol Weight | 627.0 g/mol |
| Molecular Formula | C28H35ClN2O12 |
| Exact Mass | 626.187852 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F5SomwbUvZ0 |
|---|---|
| Name | AURANTOSIDE_H |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H35ClN2O12 |
| InChI | InChI=1S/C28H35ClN2O12/c1-14(29)9-7-5-3-2-4-6-8-10-16(32)20-21(36)15(11-19(30)35)31(26(20)40)27-25(23(38)18(34)12-41-27)43-28-24(39)22(37)17(33)13-42-28/h2-10,15,17-18,22-25,27-28,32-34,37-39H,11-13H2,1H3,(H2,30,35)/b3-2+,6-4+,7-5+,10-8+,14-9-,20-16-/t15-,17-,18+,22-,23-,24+,25+,27+,28+/m1/s1 |
| InChIKey | LIMKXWLGCNDCHO-ZGEGPHTQSA-N |
| Literature Reference Author | A.S.RATNAYAKE,R.A.DAVIS,M.K.HARPER,C.A.VELTRI,C.D.ANDJELIC,L .R.BARROWS,C.M.IRELA |
| Literature Reference Citation | J.NAT.PROD.,68,104(2005) |
| Literature Reference DOI | 10.1021/np049721s |
| Molecular Weight | 627.045 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ8293 |