| SpectraBase Compound ID | lI88GuVWTC |
|---|---|
| InChI | InChI=1S/C48H82O18/c1-21-31(52)34(55)36(57)40(61-21)65-38-33(54)25(20-49)63-42(39(38)66-41-37(58)35(56)32(53)22(2)62-41)64-29-14-15-45(7)26(43(29,3)4)12-17-46(8)27(45)19-24(50)30-23(11-16-47(30,46)9)48(10,60)18-13-28(51)44(5,6)59/h21-23,25-42,49,51-60H,11-20H2,1-10H3/t21-,22+,23+,25+,26+,27-,28-,29+,30+,31-,32+,33+,34+,35-,36+,37-,38-,39+,40-,41+,42-,45+,46-,47-,48+/m1/s1 |
| InChIKey | ROAABTSYWFQVAR-VBCXODAPSA-N |
| Mol Weight | 947.2 g/mol |
| Molecular Formula | C48H82O18 |
| Exact Mass | 946.550116 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lnr3mH8g9XY |
|---|---|
| Name | NEOALSOSIDE_L1 |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H82O18 |
| InChI | InChI=1S/C48H82O18/c1-21-31(52)34(55)36(57)40(61-21)65-38-33(54)25(20-49)63-42(39(38)66-41-37(58)35(56)32(53)22(2)62-41)64-29-14-15-45(7)26(43(29,3)4)12-17-46(8)27(45)19-24(50)30-23(11-16-47(30,46)9)48(10,60)18-13-28(51)44(5,6)59/h21-23,25-42,49,51-60H,11-20H2,1-10H3/t21-,22+,23+,25+,26+,27-,28-,29+,30+,31-,32+,33+,34+,35-,36+,37-,38-,39+,40-,41+,42-,45+,46-,47-,48+/m1/s1 |
| InChIKey | ROAABTSYWFQVAR-VBCXODAPSA-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 | 947.168 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ8532 |