SpectraBase Compound ID | 2b4BxiOCuW1 |
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InChI | InChI=1S/C54H86O24/c1-49(2)14-16-54(48(70)78-46-38(66)35(63)32(60)26(21-57)73-46)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)74-47-41(76-45-37(65)34(62)31(59)25(20-56)72-45)39(67)40(42(77-47)43(68)69)75-44-36(64)33(61)30(58)24(19-55)71-44/h8,23-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)/t23?,24-,25-,26+,27?,28?,29-,30-,31-,32+,33+,34+,35-,36-,37-,38+,39-,40-,41+,42-,44+,45+,46-,47+,51-,52+,53+,54-/m0/s1 |
InChIKey | LEEYYHJQGXOXHR-VTDLHYAKSA-N |
Mol Weight | 1119.3 g/mol |
Molecular Formula | C54H86O24 |
Exact Mass | 1118.550904 g/mol |
SpectraBase Spectrum ID | 2fkM3AcbDnA |
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Name | POLYSCIOSIDE-D;3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-BETA-D-GLUCOPYRANOSI |
Compound Number | 7 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C54H86O24 |
InChI | InChI=1S/C54H86O24/c1-49(2)14-16-54(48(70)78-46-38(66)35(63)32(60)26(21-57)73-46)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)74-47-41(76-45-37(65)34(62)31(59)25(20-56)72-45)39(67)40(42(77-47)43(68)69)75-44-36(64)33(61)30(58)24(19-55)71-44/h8,23-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)/t23?,24-,25-,26+,27?,28?,29-,30-,31-,32+,33+,34+,35-,36-,37-,38+,39-,40-,41+,42-,44+,45+,46-,47+,51-,52+,53+,54-/m0/s1 |
InChIKey | LEEYYHJQGXOXHR-VTDLHYAKSA-N |
Literature Reference Author | V.D.HUAN,S.YAMAMURA,K.OHTANI,R.KASAI,K.YAMASAKI,N.T.NHAM,H.M .CHAU |
Literature Reference Citation | PHYTOCHEM.,47,451(1998) |
Literature Reference DOI | 10.1016/S0031-9422(97)00618-3 |
Molecular Weight | 1119.262 g/mol |
Solvent | C5D5N |
Source File Reference | UWMS193 |