SpectraBase Compound ID | DZl3XBncIOO |
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InChI | InChI=1S/C69H112O35/c1-26-37(77)41(81)43(83)56(94-26)99-49-32(76)22-91-55(45(49)85)98-48-27(2)95-58(47(87)51(48)101-61-53(88)69(90,24-73)25-93-61)102-52-38(78)31(75)21-92-60(52)104-62(89)68-15-13-63(3,4)17-29(68)28-9-10-36-64(5)18-30(74)54(65(6,23-72)35(64)11-12-67(36,8)66(28,7)14-16-68)103-59-46(86)50(40(80)34(20-71)97-59)100-57-44(84)42(82)39(79)33(19-70)96-57/h9,26-27,29-61,70-88,90H,10-25H2,1-8H3/t26-,27-,29-,30-,31-,32+,33+,34+,35+,36+,37-,38-,39+,40+,41+,42-,43+,44+,45+,46+,47+,48-,49-,50-,51-,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-,66+,67+,68-,69+/m0/s1 |
InChIKey | JSJJUWYDWWCPIF-MPNJLZKOSA-N |
Mol Weight | 1501.6 g/mol |
Molecular Formula | C69H112O35 |
Exact Mass | 1500.698415 g/mol |
SpectraBase Spectrum ID | EwDNGsdzPkN |
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Name | #4;TACACOSIDE-A1;3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-2-BETA,3-BETA,23-TRIHYDROXY-OLEAN-12-EN-28-OIC-ACID-28-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3) |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C69H112O35 |
InChI | InChI=1S/C69H112O35/c1-26-37(77)41(81)43(83)56(94-26)99-49-32(76)22-91-55(45(49)85)98-48-27(2)95-58(47(87)51(48)101-61-53(88)69(90,24-73)25-93-61)102-52-38(78)31(75)21-92-60(52)104-62(89)68-15-13-63(3,4)17-29(68)28-9-10-36-64(5)18-30(74)54(65(6,23-72)35(64)11-12-67(36,8)66(28,7)14-16-68)103-59-46(86)50(40(80)34(20-71)97-59)100-57-44(84)42(82)39(79)33(19-70)96-57/h9,26-27,29-61,70-88,90H,10-25H2,1-8H3/t26-,27-,29-,30-,31-,32+,33+,34+,35+,36+,37-,38-,39+,40+,41+,42-,43+,44+,45+,46+,47+,48-,49-,50-,51-,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-,66+,67+,68-,69+/m0/s1 |
InChIKey | JSJJUWYDWWCPIF-MPNJLZKOSA-N |
Literature Reference Author | B.HERNANDEZ-CARLOS,M.CARMONA-PINEDA,C.VILLANUEVA-CANONGO,J.F .LOPEZ-OLGUIN,A.ARAG |
Literature Reference Citation | MAGN.RES.CHEM.,47,994(2009) |
Literature Reference DOI | 10.1002/mrc.2487 |
Molecular Weight | 1501.627 g/mol |
Solvent | C5D5N |
Source File Reference | UWLU80183 |