| SpectraBase Compound ID | BCBJpQ3kEEc |
|---|---|
| InChI | InChI=1S/C42H68O14/c1-19(2)21-14-23(46)35-41(7)11-8-20-28(40(41,6)12-13-42(21,35)18-44)22(45)15-26-38(3,4)27(9-10-39(20,26)5)56-37-34(52)32(50)30(48)25(55-37)17-53-36-33(51)31(49)29(47)24(16-43)54-36/h8,18-19,21-37,43,45-52H,9-17H2,1-7H3/t21-,22-,23+,24+,25+,26-,27-,28-,29+,30+,31-,32-,33+,34+,35+,36+,37-,39+,40-,41+,42+/m0/s1 |
| InChIKey | LILZAHFTZBUNDM-REZAIECBSA-N |
| Mol Weight | 797.0 g/mol |
| Molecular Formula | C42H68O14 |
| Exact Mass | 796.460907 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FiHIYrlQkEF |
|---|---|
| Name | RUBIARBOSIDE_G_28-AL;28-BETA-FORMYL-3-BETA,7-BETA,19-ALPHA-TRIHYDROXYARBOR-9-(11)-EN-3-O-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O14 |
| InChI | InChI=1S/C42H68O14/c1-19(2)21-14-23(46)35-41(7)11-8-20-28(40(41,6)12-13-42(21,35)18-44)22(45)15-26-38(3,4)27(9-10-39(20,26)5)56-37-34(52)32(50)30(48)25(55-37)17-53-36-33(51)31(49)29(47)24(16-43)54-36/h8,18-19,21-37,43,45-52H,9-17H2,1-7H3/t21-,22-,23+,24+,25+,26-,27-,28-,29+,30+,31-,32-,33+,34+,35+,36+,37-,39+,40-,41+,42+/m0/s1 |
| InChIKey | LILZAHFTZBUNDM-REZAIECBSA-N |
| Literature Reference Author | J.T.FAN,B.KUANG,G.Z.ZENG,S.M.ZENG,C.J.JI,Y.M.ZHANG,N.H.TAN |
| Literature Reference Citation | J.NAT.PROD.,74,2069(2011) |
| Literature Reference DOI | 10.1021/np2002918 |
| Molecular Weight | 796.994 g/mol |
| Sample ID | 39312 |
| Solvent | C5D5N |