| SpectraBase Compound ID | J2qtwTXtD2W |
|---|---|
| InChI | InChI=1S/C42H54O25/c1-58-37(56)23-16-62-39(66-41-35(54)33(52)31(50)27(14-44)64-41)19(5-8-43)21(23)12-30(49)61-10-7-20-22(13-29(48)60-9-6-18-3-4-25(46)26(47)11-18)24(38(57)59-2)17-63-40(20)67-42-36(55)34(53)32(51)28(15-45)65-42/h3-5,7,11,16-17,21-22,27-28,31-36,39-47,50-55H,6,8-10,12-15H2,1-2H3/b19-5-,20-7-/t21-,22+,27-,28+,31-,32+,33+,34-,35-,36+,39-,40+,41+,42-/m1/s1 |
| InChIKey | TWSGITCUZJZFOR-HRTZVTRTSA-N |
| Mol Weight | 958.9 g/mol |
| Molecular Formula | C42H54O25 |
| Exact Mass | 958.295417 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 70pyjCBGoaH |
|---|---|
| Name | JASAMPLEXOSIDE-C |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H54O25 |
| InChI | InChI=1S/C42H54O25/c1-58-37(56)23-16-62-39(66-41-35(54)33(52)31(50)27(14-44)64-41)19(5-8-43)21(23)12-30(49)61-10-7-20-22(13-29(48)60-9-6-18-3-4-25(46)26(47)11-18)24(38(57)59-2)17-63-40(20)67-42-36(55)34(53)32(51)28(15-45)65-42/h3-5,7,11,16-17,21-22,27-28,31-36,39-47,50-55H,6,8-10,12-15H2,1-2H3/b19-5-,20-7-/t21-,22+,27-,28+,31-,32+,33+,34-,35-,36+,39-,40+,41+,42-/m1/s1 |
| InChIKey | TWSGITCUZJZFOR-HRTZVTRTSA-N |
| Literature Reference Author | T.TANAHASHI,A.SHIMADA,N.NAGAKURA,H.NAYESHIRO |
| Literature Reference Citation | PLANTA.MED.,58,552(1992) |
| Literature Reference DOI | 10.1055/s-2006-961548 |
| Molecular Weight | 958.876 g/mol |
| Solvent | CD3OD |
| Source File Reference | UIAP393 |