| SpectraBase Compound ID | BKI1tyDiFZd |
|---|---|
| InChI | InChI=1S/C42H70O13/c1-20-28(44)30(46)32(48)34(50-20)53-33-31(47)29(45)23(19-43)51-35(33)52-26-12-13-38(6)24(36(26,2)3)11-15-39(7)25(38)18-22-27-21(10-14-40(27,39)8)41(9)16-17-42(54-22,55-41)37(4,5)49/h20-35,43-49H,10-19H2,1-9H3/t20-,21?,22+,23+,24-,25+,26-,27-,28-,29+,30+,31-,32+,33+,34-,35-,38-,39+,40+,41-,42-/m0/s1 |
| InChIKey | YGNHMOIEVYGPSZ-HANCLARBSA-N |
| Mol Weight | 783.0 g/mol |
| Molecular Formula | C42H70O13 |
| Exact Mass | 782.481642 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HC8NRRdtcC0 |
|---|---|
| Name | NEOALSOSIDE_O1 |
| Compound Number | 23 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H70O13 |
| InChI | InChI=1S/C42H70O13/c1-20-28(44)30(46)32(48)34(50-20)53-33-31(47)29(45)23(19-43)51-35(33)52-26-12-13-38(6)24(36(26,2)3)11-15-39(7)25(38)18-22-27-21(10-14-40(27,39)8)41(9)16-17-42(54-22,55-41)37(4,5)49/h20-35,43-49H,10-19H2,1-9H3/t20-,21?,22+,23+,24-,25+,26-,27-,28-,29+,30+,31-,32+,33+,34-,35-,38-,39+,40+,41-,42-/m0/s1 |
| InChIKey | YGNHMOIEVYGPSZ-HANCLARBSA-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 | 783.010 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ8539 |