SpectraBase Compound ID | DjiJQ2icn4u |
---|---|
InChI | InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,55-37-35(51)33(49)31(47)25(20-44)53-37)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42-/m0/s1 |
InChIKey | SWIROVJVGRGSPO-JBVRGBGGSA-N |
Mol Weight | 785.0 g/mol |
Molecular Formula | C42H72O13 |
Exact Mass | 784.497292 g/mol |
SpectraBase Spectrum ID | IuaFWcWCXjA |
---|---|
Name | SWIROVJVGRGSPO-JBVRGBGGSA-N |
Compound Number | F2 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C42H72O13 |
InChI | InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,55-37-35(51)33(49)31(47)25(20-44)53-37)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42-/m0/s1 |
InChIKey | SWIROVJVGRGSPO-JBVRGBGGSA-N |
Literature Reference Author | L.F.YOUSEF,M.A.BERNARDS |
Literature Reference Citation | PHYTOCHEM.,67,1740(2006) |
Literature Reference DOI | 10.1016/j.phytochem.2005.06.030 |
Molecular Weight | 785.026 g/mol |
Sample ID | 67082 |
Solvent | CD3OD |