| SpectraBase Compound ID | 6c0IXsOJbpf |
|---|---|
| InChI | InChI=1S/C54H94O23/c1-22-33(58)37(62)40(65)45(70-22)76-43-36(61)27(21-56)73-48(44(43)77-46-41(66)38(63)34(59)23(2)71-46)74-30-13-15-51(7)28(49(30,3)4)12-17-52(8)29(51)19-25(57)32-24(11-16-53(32,52)9)54(10,69)18-14-31(50(5,6)68)75-47-42(67)39(64)35(60)26(20-55)72-47/h22-48,55-69H,11-21H2,1-10H3/t22-,23+,24+,25-,26-,27+,28+,29-,30+,31-,32+,33-,34+,35-,36+,37+,38-,39+,40+,41-,42-,43-,44+,45-,46+,47+,48-,51+,52-,53-,54+/m1/s1 |
| InChIKey | VKTIRXXQADGSHW-QVSRWSKGSA-N |
| Mol Weight | 1111.3 g/mol |
| Molecular Formula | C54H94O23 |
| Exact Mass | 1110.618589 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D5mAU7k9Lbm |
|---|---|
| Name | NEOALSOSIDE_I2 |
| Compound Number | 15 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H94O23 |
| InChI | InChI=1S/C54H94O23/c1-22-33(58)37(62)40(65)45(70-22)76-43-36(61)27(21-56)73-48(44(43)77-46-41(66)38(63)34(59)23(2)71-46)74-30-13-15-51(7)28(49(30,3)4)12-17-52(8)29(51)19-25(57)32-24(11-16-53(32,52)9)54(10,69)18-14-31(50(5,6)68)75-47-42(67)39(64)35(60)26(20-55)72-47/h22-48,55-69H,11-21H2,1-10H3/t22-,23+,24+,25-,26-,27+,28+,29-,30+,31-,32+,33-,34+,35-,36+,37+,38-,39+,40+,41-,42-,43-,44+,45-,46+,47+,48-,51+,52-,53-,54+/m1/s1 |
| InChIKey | VKTIRXXQADGSHW-QVSRWSKGSA-N |
| Literature Reference Author | S.FUJITA,R.KASAI,K.OHTANI,K.YAMASAKI,C.M.HUA,N.RUI-LIN,O.TAN AKA |
| Literature Reference Citation | PHYTOCHEM.,39,591(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00020-8 |
| Molecular Weight | 1111.327 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ8529 |