SpectraBase Compound ID | 4HNj6T0QYNP |
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InChI | InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,56-37-34(52)32(50)30(48)25(19-44)55-37)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26?,27-,28-,29+,30+,31-,32-,33+,34+,35?,36+,37-,39+,40+,41+,42-/m0/s1 |
InChIKey | YURJSTAIMNSZAE-ILDRPQKSSA-N |
Mol Weight | 801.0 g/mol |
Molecular Formula | C42H72O14 |
Exact Mass | 800.492207 g/mol |
SpectraBase Spectrum ID | eqN0t5tQwo |
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Name | GINSENOSIDE_RG1 |
Compound Number | 1 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C42H72O14 |
InChI | InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,56-37-34(52)32(50)30(48)25(19-44)55-37)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26?,27-,28-,29+,30+,31-,32-,33+,34+,35?,36+,37-,39+,40+,41+,42-/m0/s1 |
InChIKey | YURJSTAIMNSZAE-ILDRPQKSSA-N |
Literature Reference Author | B.DANIELI,M.LUISETTI,S.RIVA,A.BERTINOTTI,E.RAGG,L.SCAGLIONI, E.BOMBARDELLI |
Literature Reference Citation | J.ORG.CHEM.,60,3637(1995) |
Literature Reference DOI | 10.1021/jo00117a012 |
Molecular Weight | 801.025 g/mol |
Solvent | DMSO-D6:D2O |
Source File Reference | UWMZ2322 |