| SpectraBase Compound ID | 9Hkr6rfmW1V |
|---|---|
| InChI | InChI=1S/C45H64O9/c1-27(46)51-26-45-22-17-31(41(6,7)50)39(45)32-13-15-36-42(8)20-19-37(40(4,5)35(42)18-21-44(36,10)43(32,9)23-24-45)54-38(49)16-12-30-11-14-33(52-28(2)47)34(25-30)53-29(3)48/h11-12,14,16,25,31-32,35-37,39,50H,13,15,17-24,26H2,1-10H3/b16-12+/t31-,32?,35?,36?,37+,39?,42+,43-,44-,45-/m1/s1 |
| InChIKey | VXBUOOIAHQOSAF-TYLGQZLYSA-N |
| Mol Weight | 749.0 g/mol |
| Molecular Formula | C45H64O9 |
| Exact Mass | 748.455034 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JYL8S5m7u9N |
|---|---|
| Name | 3',4',28-TRIACETYL-LUPANE-3-BETA,20,28-TRIOL_3-O-CAFFEATE |
| Compound Number | 16A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H64O9 |
| InChI | InChI=1S/C45H64O9/c1-27(46)51-26-45-22-17-31(41(6,7)50)39(45)32-13-15-36-42(8)20-19-37(40(4,5)35(42)18-21-44(36,10)43(32,9)23-24-45)54-38(49)16-12-30-11-14-33(52-28(2)47)34(25-30)53-29(3)48/h11-12,14,16,25,31-32,35-37,39,50H,13,15,17-24,26H2,1-10H3/b16-12+/t31-,32?,35?,36?,37+,39?,42+,43-,44-,45-/m1/s1 |
| InChIKey | VXBUOOIAHQOSAF-TYLGQZLYSA-N |
| Literature Reference Author | H.FUCHINO,T.SATOH,N.TANAKA |
| Literature Reference Citation | CHEM.PHARM.BULL.,44,1748(1996) |
| Literature Reference DOI | 10.1248/cpb.44.1748 |
| Molecular Weight | 748.998 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ19629 |