| SpectraBase Compound ID | 1JxRxDRjOpr |
|---|---|
| InChI | InChI=1S/C49H84O21/c1-9-11-17-20-29-21-18-15-13-12-14-16-19-22-31(51)65-42-39(68-46-37(57)36(56)38(27(7)61-46)66-44(58)24(3)4)28(8)62-49(43(42)67-45(59)25(5)10-2)70-41-35(55)33(53)30(23-50)64-48(41)69-40-34(54)32(52)26(6)60-47(40)63-29/h24-30,32-43,46-50,52-57H,9-23H2,1-8H3/t25?,26-,27-,28+,29+,30-,32-,33-,34+,35+,36-,37-,38-,39+,40-,41-,42-,43-,46+,47+,48+,49+/m1/s1 |
| InChIKey | PQNGYHZFXPTARB-AVRURECRSA-N |
| Mol Weight | 1009.2 g/mol |
| Molecular Formula | C49H84O21 |
| Exact Mass | 1008.55051 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IOBHCzbzhVw |
|---|---|
| Name | STANSIN-4 |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H84O21 |
| InChI | InChI=1S/C49H84O21/c1-9-11-17-20-29-21-18-15-13-12-14-16-19-22-31(51)65-42-39(68-46-37(57)36(56)38(27(7)61-46)66-44(58)24(3)4)28(8)62-49(43(42)67-45(59)25(5)10-2)70-41-35(55)33(53)30(23-50)64-48(41)69-40-34(54)32(52)26(6)60-47(40)63-29/h24-30,32-43,46-50,52-57H,9-23H2,1-8H3/t25?,26-,27-,28+,29+,30-,32-,33-,34+,35+,36-,37-,38-,39+,40-,41-,42-,43-,46+,47+,48+,49+/m1/s1 |
| InChIKey | PQNGYHZFXPTARB-AVRURECRSA-N |
| Literature Reference Author | I.LEON,P.R.ENRIQUEZ,D.GNECCO,M.L.VILLARREAL,D.A.CORTES,W.F.R EYNOLDS,M.YU |
| Literature Reference Citation | J.NAT.PROD.,67,1552(2004) |
| Literature Reference DOI | 10.1021/np0400454 |
| Molecular Weight | 1009.193 g/mol |
| Solvent | ACETONE-D6 |