| SpectraBase Compound ID | HR6GDf9Z6Dr |
|---|---|
| InChI | InChI=1S/C53H78O16/c1-16-28(2)46(60)69-41-24-48(9,10)23-36-35-17-18-39-50(13)21-20-40(63-30(4)55)49(11,12)38(50)19-22-51(39,14)52(35,15)25-42(64-31(5)56)53(36,41)27-62-47-45(67-34(8)59)44(66-33(7)58)43(65-32(6)57)37(68-47)26-61-29(3)54/h16-17,36-45,47H,18-27H2,1-15H3/b28-16-/t36-,37-,38?,39?,40-,41-,42+,43-,44+,45-,47-,50-,51+,52+,53+/m0/s1 |
| InChIKey | PPYDVUXCQXQQGA-WZOYCPHQSA-N |
| Mol Weight | 971.2 g/mol |
| Molecular Formula | C53H78O16 |
| Exact Mass | 970.528986 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C3vvNMVht7 |
|---|---|
| Name | PPYDVUXCQXQQGA-WZOYCPHQSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H78O16 |
| InChI | InChI=1S/C53H78O16/c1-16-28(2)46(60)69-41-24-48(9,10)23-36-35-17-18-39-50(13)21-20-40(63-30(4)55)49(11,12)38(50)19-22-51(39,14)52(35,15)25-42(64-31(5)56)53(36,41)27-62-47-45(67-34(8)59)44(66-33(7)58)43(65-32(6)57)37(68-47)26-61-29(3)54/h16-17,36-45,47H,18-27H2,1-15H3/b28-16-/t36-,37-,38?,39?,40-,41-,42+,43-,44+,45-,47-,50-,51+,52+,53+/m0/s1 |
| InChIKey | PPYDVUXCQXQQGA-WZOYCPHQSA-N |
| Literature Reference Author | A.K.CHAKRAVARTY,B.DAS,S.C.PAKRASHI |
| Literature Reference Citation | PHYTOCHEM.,26,2345(1987) |
| Literature Reference DOI | 10.1016/S0031-9422(00)84716-0 |
| Molecular Weight | 971.193 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBK496 |