| SpectraBase Compound ID | LX7Pd12AezG |
|---|---|
| InChI | InChI=1S/C74H120O39/c1-26-55(108-62-54(96)56(32(80)24-100-62)109-60-49(91)40(82)29(77)21-98-60)53(95)59(111-64-52(94)46(88)43(85)33(19-75)104-64)66(103-26)112-58-48(90)44(86)34(20-76)105-67(58)113-68(97)74-16-15-69(2,3)17-28(74)27-9-10-37-71(6)13-12-39(70(4,5)36(71)11-14-72(37,7)73(27,8)18-38(74)81)107-63-51(93)47(89)45(87)35(106-63)25-102-65-57(42(84)31(79)23-101-65)110-61-50(92)41(83)30(78)22-99-61/h9,26,28-67,75-96H,10-25H2,1-8H3/t26-,28?,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-,62-,63-,64-,65-,66-,67-,71-,72+,73+,74+/m0/s1 |
| InChIKey | QNSISMOIISIICW-JWDYHABMSA-N |
| Mol Weight | 1633.7 g/mol |
| Molecular Formula | C74H120O39 |
| Exact Mass | 1632.740674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3XRJGxi8lOX |
|---|---|
| Name | GLEDITSIOSIDE-J;3-O-BETA-D-XYLOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-ECHINOCYSTIC-ACID-28-O-BETA-D-XYLOPYRANOSYL-( |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C74H120O39 |
| InChI | InChI=1S/C74H120O39/c1-26-55(108-62-54(96)56(32(80)24-100-62)109-60-49(91)40(82)29(77)21-98-60)53(95)59(111-64-52(94)46(88)43(85)33(19-75)104-64)66(103-26)112-58-48(90)44(86)34(20-76)105-67(58)113-68(97)74-16-15-69(2,3)17-28(74)27-9-10-37-71(6)13-12-39(70(4,5)36(71)11-14-72(37,7)73(27,8)18-38(74)81)107-63-51(93)47(89)45(87)35(106-63)25-102-65-57(42(84)31(79)23-101-65)110-61-50(92)41(83)30(78)22-99-61/h9,26,28-67,75-96H,10-25H2,1-8H3/t26-,28?,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-,62-,63-,64-,65-,66-,67-,71-,72+,73+,74+/m0/s1 |
| InChIKey | QNSISMOIISIICW-JWDYHABMSA-N |
| Literature Reference Author | Z.ZHANG,K.KOIKE,Z.JIA,T.NIKAIDO,D.GUO,J.ZHENG |
| Literature Reference Citation | PHYTOCHEM.,52,715(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00238-1 |
| Molecular Weight | 1633.743 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN483 |