| SpectraBase Compound ID | 1NGNXB7eDLD |
|---|---|
| InChI | InChI=1S/C54H86O24/c1-49(2)15-16-54(48(69)78-44-39(67)40(24(57)21-71-44)75-45-37(65)33(61)31(59)25(19-55)72-45)23(17-49)22-9-10-28-51(5)13-12-30(50(3,4)27(51)11-14-52(28,6)53(22,7)18-29(54)58)74-47-42(36(64)35(63)41(76-47)43(68)70-8)77-46-38(66)34(62)32(60)26(20-56)73-46/h9,23-42,44-47,55-67H,10-21H2,1-8H3/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 | TYFSWRSLMZFDLH-YYGXCJMASA-N |
| Mol Weight | 1119.3 g/mol |
| Molecular Formula | C54H86O24 |
| Exact Mass | 1118.550904 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 62ckNUxFci9 |
|---|---|
| Name | TRAGOPOGONOSIDE-E-METHYLESTER |
| Compound Number | 9A |
| 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)15-16-54(48(69)78-44-39(67)40(24(57)21-71-44)75-45-37(65)33(61)31(59)25(19-55)72-45)23(17-49)22-9-10-28-51(5)13-12-30(50(3,4)27(51)11-14-52(28,6)53(22,7)18-29(54)58)74-47-42(36(64)35(63)41(76-47)43(68)70-8)77-46-38(66)34(62)32(60)26(20-56)73-46/h9,23-42,44-47,55-67H,10-21H2,1-8H3/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 | TYFSWRSLMZFDLH-YYGXCJMASA-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 | 1119.262 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN6132 |