| SpectraBase Compound ID | EnoXf34ISQ1 |
|---|---|
| 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+/m1/s1 |
| InChIKey | PVHLZWLAXYBHKM-GAYJKOJDSA-N |
| Mol Weight | 813.0 g/mol |
| Molecular Formula | C42H68O15 |
| Exact Mass | 812.455821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | G7mapCJqKyA |
|---|---|
| Name | ROSMUTIN-3-O-BETA-D-GLUCOPYRANOSIDE;3-O-BETA-D-GLUCOPYRANOSYL-2-ALPHA,19-ALPHA-DIHYDROXY-URS-12-EN-28-OIC-ACID-BETA-D-GLUCOPYRANOSYLESTER |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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+/m1/s1 |
| InChIKey | PVHLZWLAXYBHKM-GAYJKOJDSA-N |
| Literature Reference Author | Z.J.JIA,X.Q.LIU,Z.M.LIU |
| Literature Reference Citation | PHYTOCHEM.,32,155(1993) |
| Literature Reference DOI | 10.1016/0031-9422(92)80123-V |
| Molecular Weight | 812.993 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS3566 |