| SpectraBase Compound ID | HkEGmmN9K4O |
|---|---|
| InChI | InChI=1S/C54H92O23/c1-21-32(58)36(62)39(65)45(69-21)75-42-35(61)27(20-56)73-48(43(42)76-46-40(66)37(63)33(59)22(2)70-46)74-30-13-14-51(7)28(49(30,3)4)12-16-52(8)29(51)17-24(57)31-23(11-15-53(31,52)9)54(10)18-25(44(68)50(5,6)77-54)71-47-41(67)38(64)34(60)26(19-55)72-47/h21-48,55-68H,11-20H2,1-10H3/t21-,22+,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 | CXLJXRAMHGGTIP-DIYNZAIYSA-N |
| Mol Weight | 1109.3 g/mol |
| Molecular Formula | C54H92O23 |
| Exact Mass | 1108.602939 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | nXxvGHUuq |
|---|---|
| Name | NEOALSOSIDE_M3 |
| Compound Number | 21 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H92O23 |
| InChI | InChI=1S/C54H92O23/c1-21-32(58)36(62)39(65)45(69-21)75-42-35(61)27(20-56)73-48(43(42)76-46-40(66)37(63)33(59)22(2)70-46)74-30-13-14-51(7)28(49(30,3)4)12-16-52(8)29(51)17-24(57)31-23(11-15-53(31,52)9)54(10)18-25(44(68)50(5,6)77-54)71-47-41(67)38(64)34(60)26(19-55)72-47/h21-48,55-68H,11-20H2,1-10H3/t21-,22+,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 | CXLJXRAMHGGTIP-DIYNZAIYSA-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 | 1109.311 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ8535 |