| SpectraBase Compound ID | IxQkqZROcu9 |
|---|---|
| InChI | InChI=1S/C42H72O14/c1-19-28(46)30(48)31(49)35(52-19)55-33-29(47)23(18-43)53-36(32(33)50)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 | KQHMYUAEJSJWOU-FBQQUMDLSA-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 | 1aSfoPbeMtO |
|---|---|
| Name | NEOALSOSIDE-A4 |
| Compound Number | 12 |
| 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)31(49)35(52-19)55-33-29(47)23(18-43)53-36(32(33)50)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 | KQHMYUAEJSJWOU-FBQQUMDLSA-N |
| Literature Reference Author | S.FUJITA,R.KASAI,K.OHTANI,K.YAMASAKI,M.H.CHIU,R.L.NIE,O.TANA KA |
| Literature Reference Citation | PHYTOCHEM.,38,465(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00608-V |
| Molecular Weight | 801.025 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS4791 |