| SpectraBase Compound ID | 31Iqco8JzGw |
|---|---|
| InChI | InChI=1S/C64H100O27/c1-13-26(3)53(80)90-50-51(91-54(81)27(4)14-2)64(25-67)30(21-59(50,6)7)29-15-16-34-61(10)19-18-36(60(8,9)33(61)17-20-62(34,11)63(29,12)22-35(64)68)85-58-49(89-56-44(76)41(73)38(70)31(23-65)83-56)46(45(77)47(87-58)52(78)79)86-57-48(42(74)39(71)32(24-66)84-57)88-55-43(75)40(72)37(69)28(5)82-55/h13-15,28,30-51,55-58,65-77H,16-25H2,1-12H3,(H,78,79)/b26-13+,27-14+/t28-,30+,31-,32+,33+,34-,35-,36+,37-,38+,39-,40+,41+,42-,43+,44-,45-,46-,47-,48+,49+,50+,51+,55-,56+,57-,58+,61+,62-,63-,64+/m1/s1 |
| InChIKey | UJJCZTNUJPJMDB-ILMTWTPNSA-N |
| Mol Weight | 1301.5 g/mol |
| Molecular Formula | C64H100O27 |
| Exact Mass | 1300.645198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 35eGhGraTlE |
|---|---|
| Name | YUCHASAPONIN-D |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H100O27 |
| InChI | InChI=1S/C64H100O27/c1-13-26(3)53(80)90-50-51(91-54(81)27(4)14-2)64(25-67)30(21-59(50,6)7)29-15-16-34-61(10)19-18-36(60(8,9)33(61)17-20-62(34,11)63(29,12)22-35(64)68)85-58-49(89-56-44(76)41(73)38(70)31(23-65)83-56)46(45(77)47(87-58)52(78)79)86-57-48(42(74)39(71)32(24-66)84-57)88-55-43(75)40(72)37(69)28(5)82-55/h13-15,28,30-51,55-58,65-77H,16-25H2,1-12H3,(H,78,79)/b26-13+,27-14+/t28-,30+,31-,32+,33+,34-,35-,36+,37-,38+,39-,40+,41+,42-,43+,44-,45-,46-,47-,48+,49+,50+,51+,55-,56+,57-,58+,61+,62-,63-,64+/m1/s1 |
| InChIKey | UJJCZTNUJPJMDB-ILMTWTPNSA-N |
| Literature Reference Author | S.SUGIMOTO,G.CHI,Y.KATO,S.NAKAMURA,H.MATSUDA,M.YOSHIKAWA |
| Literature Reference Citation | CHEM.PHARM.BULL.,57,269(2009) |
| Literature Reference DOI | 10.1248/cpb.57.269 |
| Molecular Weight | 1301.482 g/mol |
| Sample ID | 2261 |
| Solvent | C5D5N |