SpectraBase Compound ID | DAfgm3lGb9I |
---|---|
InChI | InChI=1S/C51H72O9/c1-32(12-10-14-33(2)30-52)13-11-15-35(28-42(55)37-29-36(53)17-19-41(37)54)46(58)60-31-51(9,59)45(57)21-16-34(3)38-22-26-50(8)40-18-20-43-47(4,5)44(56)24-25-48(43,6)39(40)23-27-49(38,50)7/h13-14,17-19,23,28-29,34,38,43,45,52-54,57,59H,10-12,15-16,20-22,24-27,30-31H2,1-9H3/b32-13+,33-14+,35-28-/t34-,38-,43+,45+,48-,49-,50+,51?/m1/s1 |
InChIKey | VAEJXEVKHVVLMH-CGHNYTFVSA-N |
Mol Weight | 829.1 g/mol |
Molecular Formula | C51H72O9 |
Exact Mass | 828.517634 g/mol |
SpectraBase Spectrum ID | 8mPb2PDadjP |
---|---|
Name | GANOSINENSIN_A;GANODERMANONTRIOL_26-O-{(2-Z,5-E,9-E)-2-[2-(2,5-DIHYDROXYPHENYL)-2-OXO-ETHYLIDENE]-11-HYDROXY-6,10-DIMETHYLUNDECA-5,9-DIENATE} |
Compound Number | 1 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C51H72O9 |
InChI | InChI=1S/C51H72O9/c1-32(12-10-14-33(2)30-52)13-11-15-35(28-42(55)37-29-36(53)17-19-41(37)54)46(58)60-31-51(9,59)45(57)21-16-34(3)38-22-26-50(8)40-18-20-43-47(4,5)44(56)24-25-48(43,6)39(40)23-27-49(38,50)7/h13-14,17-19,23,28-29,34,38,43,45,52-54,57,59H,10-12,15-16,20-22,24-27,30-31H2,1-9H3/b32-13+,33-14+,35-28-/t34-,38-,43+,45+,48-,49-,50+,51?/m1/s1 |
InChIKey | VAEJXEVKHVVLMH-CGHNYTFVSA-N |
Literature Reference Author | N.SATO,C.M.MA,K.KOMATSU,M.HATTORI |
Literature Reference Citation | J.NAT.PROD.,72,958(2009) |
Literature Reference DOI | 10.1021/np800687t |
Molecular Weight | 829.127 g/mol |
Sample ID | 32628 |
Solvent | CDCl3 |