| SpectraBase Compound ID | 5bJvkOAzwc9 |
|---|---|
| InChI | InChI=1S/C48H76O18/c1-43(2)15-17-48(42(59)66-40-35(57)31(53)30(52)25(20-49)62-40)18-16-46(6)22(23(48)19-43)9-10-27-45(5)13-12-28(44(3,4)26(45)11-14-47(27,46)7)63-41-37(33(55)32(54)36(64-41)38(58)60-8)65-39-34(56)29(51)24(50)21-61-39/h9,23-37,39-41,49-57H,10-21H2,1-8H3/t23-,24+,25+,26-,27+,28-,29-,30+,31-,32-,33-,34+,35+,36-,37+,39-,40-,41+,45-,46+,47+,48-/m0/s1 |
| InChIKey | UTOALNGAUDOJKI-IAHYJYCFSA-N |
| Mol Weight | 941.1 g/mol |
| Molecular Formula | C48H76O18 |
| Exact Mass | 940.503166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AZZLEFjl6VP |
|---|---|
| Name | PSEUDOGINSENOSIDE_RT1_METHYLESTER |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O18 |
| InChI | InChI=1S/C48H76O18/c1-43(2)15-17-48(42(59)66-40-35(57)31(53)30(52)25(20-49)62-40)18-16-46(6)22(23(48)19-43)9-10-27-45(5)13-12-28(44(3,4)26(45)11-14-47(27,46)7)63-41-37(33(55)32(54)36(64-41)38(58)60-8)65-39-34(56)29(51)24(50)21-61-39/h9,23-37,39-41,49-57H,10-21H2,1-8H3/t23-,24+,25+,26-,27+,28-,29-,30+,31-,32-,33-,34+,35+,36-,37+,39-,40-,41+,45-,46+,47+,48-/m0/s1 |
| InChIKey | UTOALNGAUDOJKI-IAHYJYCFSA-N |
| Literature Reference Author | H.H.CHAN,T.L.HWANG,M.V.B.REDDY,D.T.LI,K.QIAN,K.F.BASTOW,K.H. LEE,T.S.WU |
| Literature Reference Citation | J.NAT.PROD.,74,796(2011) |
| Literature Reference DOI | 10.1021/np100851s |
| Molecular Weight | 941.121 g/mol |
| Sample ID | 37314 |
| Solvent | C5D5N |