| SpectraBase Compound ID | 8b9Vk4JQAre |
|---|---|
| InChI | InChI=1S/C52H90O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-46(53)57-35-45-47(54)48(55)49(56)50(59-45)58-40-30-32-51(6)39(34-40)26-27-41-43-29-28-42(52(43,7)33-31-44(41)51)37(5)24-25-38(9-2)36(3)4/h26,37-38,40-45,47-50,54-56H,3,8-25,27-35H2,1-2,4-7H3/t37-,38-,40+,41+,42-,43?,44?,45-,47-,48+,49-,50-,51+,52-/m1/s1 |
| InChIKey | FGDOPNRUJVPBLL-QWIOEQLZSA-N |
| Mol Weight | 827.3 g/mol |
| Molecular Formula | C52H90O7 |
| Exact Mass | 826.668655 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3IpPkEgAIw3 |
|---|---|
| Name | COLEBrIN-C;ClEROSTEROL-3-BETA-O-BETA-D-(6'-O-MARGAROYL)-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H90O7 |
| InChI | InChI=1S/C52H90O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-46(53)57-35-45-47(54)48(55)49(56)50(59-45)58-40-30-32-51(6)39(34-40)26-27-41-43-29-28-42(52(43,7)33-31-44(41)51)37(5)24-25-38(9-2)36(3)4/h26,37-38,40-45,47-50,54-56H,3,8-25,27-35H2,1-2,4-7H3/t37-,38-,40+,41+,42-,43?,44?,45-,47-,48+,49-,50-,51+,52-/m1/s1 |
| InChIKey | FGDOPNRUJVPBLL-QWIOEQLZSA-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 | 827.282 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN3892 |