| SpectraBase Compound ID | YhD4Z5ncAh |
|---|---|
| InChI | InChI=1S/C34H45ClN2O15/c1-16(35)11-9-7-5-4-6-8-10-12-19(38)23-25(42)18(13-22(36)40)37(31(23)46)32-29(26(43)20(39)14-48-32)52-33-28(45)27(44)21(15-49-33)51-34-30(47-3)24(41)17(2)50-34/h4-12,17-18,20-21,24,26-30,32-34,38-39,41,43-45H,13-15H2,1-3H3,(H2,36,40)/b5-4+,8-6+,9-7+,12-10+,16-11-,23-19-/t17-,18-,20+,21-,24-,26-,27-,28+,29+,30+,32+,33+,34+/m1/s1 |
| InChIKey | ITJHGHYWTXMLCW-WDXNVPLSSA-N |
| Mol Weight | 757.2 g/mol |
| Molecular Formula | C34H45ClN2O15 |
| Exact Mass | 756.250846 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8E42OjsRN9F |
|---|---|
| Name | AURANTOSIDE_I |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H45ClN2O15 |
| InChI | InChI=1S/C34H45ClN2O15/c1-16(35)11-9-7-5-4-6-8-10-12-19(38)23-25(42)18(13-22(36)40)37(31(23)46)32-29(26(43)20(39)14-48-32)52-33-28(45)27(44)21(15-49-33)51-34-30(47-3)24(41)17(2)50-34/h4-12,17-18,20-21,24,26-30,32-34,38-39,41,43-45H,13-15H2,1-3H3,(H2,36,40)/b5-4+,8-6+,9-7+,12-10+,16-11-,23-19-/t17-,18-,20+,21-,24-,26-,27-,28+,29+,30+,32+,33+,34+/m1/s1 |
| InChIKey | ITJHGHYWTXMLCW-WDXNVPLSSA-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 | 757.189 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ8294 |