| SpectraBase Compound ID | 5DkMC1CatP8 |
|---|---|
| InChI | InChI=1S/C42H68O15/c1-19-10-13-42(36(52)57-35-31(51)29(49)27(47)23(18-44)55-35)15-14-39(5)20(32(42)41(19,7)53)8-9-25-38(4)16-21(45)33(37(2,3)24(38)11-12-40(25,39)6)56-34-30(50)28(48)26(46)22(17-43)54-34/h8,19,21-35,43-51,53H,9-18H2,1-7H3/t19-,21-,22-,23-,24?,25?,26-,27-,28+,29+,30-,31-,32?,33+,34+,35+,38+,39-,40-,41-,42+/m0/s1 |
| InChIKey | PVHLZWLAXYBHKM-JKCGLQRISA-N |
| Mol Weight | 813.0 g/mol |
| Molecular Formula | C42H68O15 |
| Exact Mass | 812.455821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4r8rSpR8Xhq |
|---|---|
| Name | ROSMUTIN 3-beta-GLUCOSIDE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C42H68O15 |
| InChI | InChI=1S/C42H68O15/c1-19-10-13-42(36(52)57-35-31(51)29(49)27(47)23(18-44)55-35)15-14-39(5)20(32(42)41(19,7)53)8-9-25-38(4)16-21(45)33(37(2,3)24(38)11-12-40(25,39)6)56-34-30(50)28(48)26(46)22(17-43)54-34/h8,19,21-35,43-51,53H,9-18H2,1-7H3/t19-,21-,22-,23-,24?,25?,26-,27-,28+,29+,30-,31-,32?,33+,34+,35+,38+,39-,40-,41-,42+/m0/s1 |
| InChIKey | PVHLZWLAXYBHKM-JKCGLQRISA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |