| SpectraBase Compound ID | 1o2JBLzLTZT |
|---|---|
| InChI | InChI=1S/C42H72O14/c1-19-28(46)30(48)32(50)35(52-19)55-33-31(49)29(47)23(18-43)53-36(33)54-26-12-13-39(6)24(37(26,2)3)11-15-40(7)25(39)16-21(44)27-20(10-14-41(27,40)8)42(9)17-22(45)34(56-42)38(4,5)51/h19-36,43-51H,10-18H2,1-9H3/t19-,20-,21+,22+,23+,24-,25+,26-,27-,28-,29+,30+,31-,32+,33+,34+,35-,36-,39-,40+,41+,42+/m0/s1 |
| InChIKey | IBRFIFQSZDHJFR-NKKTXINWSA-N |
| Mol Weight | 801.0 g/mol |
| Molecular Formula | C42H72O14 |
| Exact Mass | 800.492207 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4neNmfT9aq8 |
|---|---|
| Name | NEOALSOSIDE_A3 |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H72O14 |
| InChI | InChI=1S/C42H72O14/c1-19-28(46)30(48)32(50)35(52-19)55-33-31(49)29(47)23(18-43)53-36(33)54-26-12-13-39(6)24(37(26,2)3)11-15-40(7)25(39)16-21(44)27-20(10-14-41(27,40)8)42(9)17-22(45)34(56-42)38(4,5)51/h19-36,43-51H,10-18H2,1-9H3/t19-,20-,21+,22+,23+,24-,25+,26-,27-,28-,29+,30+,31-,32+,33+,34+,35-,36-,39-,40+,41+,42+/m0/s1 |
| InChIKey | IBRFIFQSZDHJFR-NKKTXINWSA-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 | 801.025 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ8526 |