| SpectraBase Compound ID | 5zhB9xNMQrS |
|---|---|
| InChI | InChI=1S/C63H92O26/c1-58(2)21-22-63(57(79)89-55-51(85-39(69)16-11-28-9-12-29(66)13-10-28)48(32(67)27-81-55)86-53-46(76)42(72)40(70)33(25-64)82-53)31(23-58)30-14-15-36-60(5)19-18-38(59(3,4)35(60)17-20-61(36,6)62(30,7)24-37(63)68)84-56-50(45(75)44(74)49(87-56)52(78)80-8)88-54-47(77)43(73)41(71)34(26-65)83-54/h9-14,16,31-38,40-51,53-56,64-68,70-77H,15,17-27H2,1-8H3/b16-11+/t31-,32+,33+,34+,35?,36?,37+,38-,40+,41-,42-,43-,44-,45-,46+,47+,48-,49-,50+,51+,53-,54-,55-,56+,60?,61?,62?,63+/m0/s1 |
| InChIKey | GYUVCYFPPGLKPX-LJGOUEPSSA-N |
| Mol Weight | 1265.4 g/mol |
| Molecular Formula | C63H92O26 |
| Exact Mass | 1264.587683 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5xIfjZUYXNx |
|---|---|
| Name | TRAGOPOGONOSIDE-F-METHYLESTER |
| Compound Number | 10A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H92O26 |
| InChI | InChI=1S/C63H92O26/c1-58(2)21-22-63(57(79)89-55-51(85-39(69)16-11-28-9-12-29(66)13-10-28)48(32(67)27-81-55)86-53-46(76)42(72)40(70)33(25-64)82-53)31(23-58)30-14-15-36-60(5)19-18-38(59(3,4)35(60)17-20-61(36,6)62(30,7)24-37(63)68)84-56-50(45(75)44(74)49(87-56)52(78)80-8)88-54-47(77)43(73)41(71)34(26-65)83-54/h9-14,16,31-38,40-51,53-56,64-68,70-77H,15,17-27H2,1-8H3/b16-11+/t31-,32+,33+,34+,35?,36?,37+,38-,40+,41-,42-,43-,44-,45-,46+,47+,48-,49-,50+,51+,53-,54-,55-,56+,60?,61?,62?,63+/m0/s1 |
| InChIKey | GYUVCYFPPGLKPX-LJGOUEPSSA-N |
| Literature Reference Author | T.MIYASE,H.KOHSAKA,A.UENO |
| Literature Reference Citation | PHYTOCHEM.,31,2087(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)80368-O |
| Molecular Weight | 1265.408 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN6133 |