| SpectraBase Compound ID | KyMp0OOWTjK |
|---|---|
| InChI | InChI=1S/C74H120O38/c1-26-40(80)46(86)52(92)60(103-26)101-24-35-45(85)48(88)59(111-64-54(94)49(89)56(27(2)104-64)108-63-55(95)57(33(78)23-99-63)109-61-50(90)41(81)30(75)20-97-61)67(106-35)112-68(96)74-17-16-69(3,4)18-29(74)28-10-11-37-71(7)14-13-39(70(5,6)36(71)12-15-72(37,8)73(28,9)19-38(74)79)107-65-53(93)47(87)44(84)34(105-65)25-102-66-58(43(83)32(77)22-100-66)110-62-51(91)42(82)31(76)21-98-62/h10,26-27,29-67,75-95H,11-25H2,1-9H3/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+,62-,63+,64-,65-,66-,67-,71-,72+,73+,74+/m0/s1 |
| InChIKey | YFPIJADURJHEIX-FAGRGJSZSA-N |
| Mol Weight | 1617.7 g/mol |
| Molecular Formula | C74H120O38 |
| Exact Mass | 1616.745759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G68tDa4fxTZ |
|---|---|
| Name | GLEDITSIA-SAPONIN-C';3-O-BETA-D-XYLOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-ECHINOCYSTIC-ACID-28-O-BETA-D-XYLOPYRANO |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C74H120O38 |
| InChI | InChI=1S/C74H120O38/c1-26-40(80)46(86)52(92)60(103-26)101-24-35-45(85)48(88)59(111-64-54(94)49(89)56(27(2)104-64)108-63-55(95)57(33(78)23-99-63)109-61-50(90)41(81)30(75)20-97-61)67(106-35)112-68(96)74-17-16-69(3,4)18-29(74)28-10-11-37-71(7)14-13-39(70(5,6)36(71)12-15-72(37,8)73(28,9)19-38(74)79)107-65-53(93)47(87)44(84)34(105-65)25-102-66-58(43(83)32(77)22-100-66)110-62-51(91)42(82)31(76)21-98-62/h10,26-27,29-67,75-95H,11-25H2,1-9H3/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+,62-,63+,64-,65-,66-,67-,71-,72+,73+,74+/m0/s1 |
| InChIKey | YFPIJADURJHEIX-FAGRGJSZSA-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 | 1617.744 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN480 |