| SpectraBase Compound ID | 2dDt6czi2dU |
|---|---|
| InChI | InChI=1S/C53H84O20/c1-11-12-23-67-43(63)41-37(59)40(71-44(39(61)42(62)66-10)68-26-33(55)65-9)38(60)46(72-41)70-32-16-17-50(6)30(49(32,4)5)15-18-52(8)31(50)14-13-27-28-24-48(2,3)19-21-53(28,22-20-51(27,52)7)47(64)73-45-36(58)35(57)34(56)29(25-54)69-45/h13,28-32,34-41,44-46,54,56-61H,11-12,14-26H2,1-10H3 |
| InChIKey | NGSUAFCGWBFATR-UHFFFAOYSA-N |
| Mol Weight | 1041.2 g/mol |
| Molecular Formula | C53H84O20 |
| Exact Mass | 1040.555595 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KVJzxviGpDi |
|---|---|
| Name | ACHYRANTHOSIDE_C_BUTYLDIMETHYLESTER |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H84O20 |
| InChI | InChI=1S/C53H84O20/c1-11-12-23-67-43(63)41-37(59)40(71-44(39(61)42(62)66-10)68-26-33(55)65-9)38(60)46(72-41)70-32-16-17-50(6)30(49(32,4)5)15-18-52(8)31(50)14-13-27-28-24-48(2,3)19-21-53(28,22-20-51(27,52)7)47(64)73-45-36(58)35(57)34(56)29(25-54)69-45/h13,28-32,34-41,44-46,54,56-61H,11-12,14-26H2,1-10H3 |
| InChIKey | NGSUAFCGWBFATR-UHFFFAOYSA-N |
| Literature Reference Author | J.X.LI,T.HAREYAMA,Y.TEZUKA,Y.ZHANG,T.MIYAHARA,S.KADOTA |
| Literature Reference Citation | PLANTA.MED.,71,673(2005) |
| Literature Reference DOI | 10.1055/s-2005-871275 |
| Molecular Weight | 1041.238 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ47013 |