| SpectraBase Compound ID | I5udCuVfGcq |
|---|---|
| InChI | InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45+/m0/s1 |
| InChIKey | MBWUSSKCCUMJHO-OKJXOJKZSA-N |
| Mol Weight | 868.1 g/mol |
| Molecular Formula | C45H73NO15 |
| Exact Mass | 867.498021 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 16dh1XFPIUB |
|---|---|
| Name | SOLAMARGINE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H73NO15 |
| InChI | InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45+/m0/s1 |
| InChIKey | MBWUSSKCCUMJHO-OKJXOJKZSA-N |
| Literature Reference Author | R.PURI,T.C.WONG,R.K.PURI |
| Literature Reference Citation | J.NAT.PROD.,57,587(1994) |
| Literature Reference DOI | 10.1021/np50107a004 |
| Molecular Weight | 868.072 g/mol |
| Solvent | DIOXANE-D8 |
| Source File Reference | UWFP53 |