SpectraBase Compound ID | C0ZpVFNO3qv |
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InChI | InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20+,21-,23+,24-,25+,26+,27+,28-,29-,30+,31-,32-,33+,34+,35+,36+,37-,38+,39-,40-,41+,42-,43+,44+,45+/m1/s1 |
InChIKey | QCTMYNGDIBTNSK-URYLUKBRSA-N |
Mol Weight | 884.1 g/mol |
Molecular Formula | C45H73NO16 |
Exact Mass | 883.492935 g/mol |
SpectraBase Spectrum ID | AcD5ci2l6qF |
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Name | SOLASONINE |
Compound Number | 16 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C45H73NO16 |
InChI | InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20+,21-,23+,24-,25+,26+,27+,28-,29-,30+,31-,32-,33+,34+,35+,36+,37-,38+,39-,40-,41+,42-,43+,44+,45+/m1/s1 |
InChIKey | QCTMYNGDIBTNSK-URYLUKBRSA-N |
Literature Reference Author | M.T.F.CORNELIUS,M.G.D.CARVALHO,T.M.S.D.SILVA,C.C.F.ALVES,A.P .N.SISTON,K.Z.ALVES |
Literature Reference Citation | J.BRAZ.CHEM.SOC.,21,2211(2010) |
Literature Reference DOI | 10.1590/s0103-50532010001200007 |
Molecular Weight | 884.072 g/mol |
Source File Reference | UWBT6000 |