SpectraBase Spectrum ID |
2BIK3rw3Qh4 |
Name |
3,3'',3'''-TRIMETHYL-LITHOSPERMIC-ACID-B |
Compound Number |
M3 |
Copyright |
Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula |
C39H36O16 |
InChI |
InChI=1S/C39H36O16/c1-50-27-14-19(4-9-23(27)40)16-30(37(45)46)53-32(44)13-8-21-6-12-26(43)36-33(21)34(35(55-36)22-7-11-25(42)29(18-22)52-3)39(49)54-31(38(47)48)17-20-5-10-24(41)28(15-20)51-2/h4-15,18,30-31,34-35,40-43H,16-17H2,1-3H3,(H,45,46)(H,47,48)/b13-8+/t30-,31-,34+,35-/m1/s1 |
InChIKey |
WQLUEZZMOBUHSS-UPELMCDESA-N |
Literature Reference Author |
Y.ZHANG,T.AKAO,N.NAKAMURA,M.HATTORI,X.W.YANG,C.L.DUAN,J.X.LI
U |
Literature Reference Citation |
DRUG.MET.DISP.,32,752(2004) |
Literature Reference DOI |
10.1124/dmd.32.7.752 |
Molecular Weight |
760.705 g/mol |
Source File Reference |
UWLU74277 |