| SpectraBase Compound ID | ExlXhPLr7PD |
|---|---|
| InChI | InChI=1S/C52H90O8/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-45(54)58-34-44-47(55)48(56)49(57)50(60-44)59-39-28-30-51(6)38(32-39)33-43(53)46-41-27-26-40(52(41,7)31-29-42(46)51)36(5)24-25-37(9-2)35(3)4/h33,36-37,39-44,46-50,53,55-57H,3,8-32,34H2,1-2,4-7H3/t36-,37-,39+,40-,41?,42?,43-,44-,46+,47-,48+,49-,50-,51+,52-/m1/s1 |
| InChIKey | VJECEJIXEFMQER-MJZVDHHZSA-N |
| Mol Weight | 843.3 g/mol |
| Molecular Formula | C52H90O8 |
| Exact Mass | 842.66357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6qlfBRgczsf |
|---|---|
| Name | COLEBrIN-D;7-ALPHA-HYDROXY-ClEROSTEROL-3-BETA-O-BETA-D-(6'-O-MARGAROYL)-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H90O8 |
| InChI | InChI=1S/C52H90O8/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-45(54)58-34-44-47(55)48(56)49(57)50(60-44)59-39-28-30-51(6)38(32-39)33-43(53)46-41-27-26-40(52(41,7)31-29-42(46)51)36(5)24-25-37(9-2)35(3)4/h33,36-37,39-44,46-50,53,55-57H,3,8-32,34H2,1-2,4-7H3/t36-,37-,39+,40-,41?,42?,43-,44-,46+,47-,48+,49-,50-,51+,52-/m1/s1 |
| InChIKey | VJECEJIXEFMQER-MJZVDHHZSA-N |
| Literature Reference Author | H.YANG,J.WANG,A.J.HOU,Y.P.GUO,Z.W.LIN,H.D.SUN |
| Literature Reference Citation | FITOTERAPIA,71,641(2000) |
| Literature Reference DOI | 10.1016/S0367-326X(00)00223-9 |
| Molecular Weight | 843.282 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN3893 |