| SpectraBase Compound ID | 70q6N5Vct1T |
|---|---|
| InChI | InChI=1S/C47H80O18/c1-21(2)10-9-13-47(8,65-41-37(59)34(56)32(54)26(18-48)62-41)22-11-15-45(6)30(22)23(50)16-28-44(5)14-12-29(52)43(3,4)39(44)25(17-46(28,45)7)61-42-38(35(57)33(55)27(19-49)63-42)64-40-36(58)31(53)24(51)20-60-40/h10,22-42,48-59H,9,11-20H2,1-8H3/t22-,23+,24-,25-,26+,27-,28?,29-,30-,31+,32+,33-,34-,35+,36-,37+,38-,39?,40+,41-,42-,44+,45+,46+,47-/m0/s1 |
| InChIKey | LLPWNQMSUYAGQI-OKEOVKTQSA-N |
| Mol Weight | 933.1 g/mol |
| Molecular Formula | C47H80O18 |
| Exact Mass | 932.534466 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2KV5Tn3JZ0G |
|---|---|
| Name | NOTOGINSENOSIDE-R1 |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H80O18 |
| InChI | InChI=1S/C47H80O18/c1-21(2)10-9-13-47(8,65-41-37(59)34(56)32(54)26(18-48)62-41)22-11-15-45(6)30(22)23(50)16-28-44(5)14-12-29(52)43(3,4)39(44)25(17-46(28,45)7)61-42-38(35(57)33(55)27(19-49)63-42)64-40-36(58)31(53)24(51)20-60-40/h10,22-42,48-59H,9,11-20H2,1-8H3/t22-,23+,24-,25-,26+,27-,28?,29-,30-,31+,32+,33-,34-,35+,36-,37+,38-,39?,40+,41-,42-,44+,45+,46+,47-/m0/s1 |
| InChIKey | LLPWNQMSUYAGQI-OKEOVKTQSA-N |
| Literature Reference Author | M.C.LIN,K.C.WANG,S.S.LEE |
| Literature Reference Citation | J.CHIN.CHEM.SOC.,48,113(2001) |
| Literature Reference DOI | 10.1002/jccs.200100021 |
| Molecular Weight | 933.141 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS3351 |