| SpectraBase Compound ID | BAHuDmV3PyI |
|---|---|
| InChI | InChI=1S/C53H86N2O2/c1-32(2)13-11-15-34(5)40-17-19-42-38-30-36(48-52(9,27-23-46(56)54-48)44(38)21-25-50(40,42)7)29-37-31-39-43-20-18-41(35(6)16-12-14-33(3)4)51(43,8)26-22-45(39)53(10)28-24-47(57)55-49(37)53/h32-35,38-45H,11-31H2,1-10H3,(H,54,56)(H,55,57)/t34-,35-,38+,39+,40-,41-,42+,43+,44+,45+,50-,51-,52-,53-/m1/s1 |
| InChIKey | UEEDONAVDZKNPE-MKGZNRJTSA-N |
| Mol Weight | 783.3 g/mol |
| Molecular Formula | C53H86N2O2 |
| Exact Mass | 782.66893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HornDuKDAbU |
|---|---|
| Name | BIS-(4-AZA-3-OXOCHOLEST-5-EN-6-YL)-METHANE |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H86N2O2 |
| InChI | InChI=1S/C53H86N2O2/c1-32(2)13-11-15-34(5)40-17-19-42-38-30-36(48-52(9,27-23-46(56)54-48)44(38)21-25-50(40,42)7)29-37-31-39-43-20-18-41(35(6)16-12-14-33(3)4)51(43,8)26-22-45(39)53(10)28-24-47(57)55-49(37)53/h32-35,38-45H,11-31H2,1-10H3,(H,54,56)(H,55,57)/t34-,35-,38+,39+,40-,41-,42+,43+,44+,45+,50-,51-,52-,53-/m1/s1 |
| InChIKey | UEEDONAVDZKNPE-MKGZNRJTSA-N |
| Literature Reference Author | O.E.EDWARDS,G.GRUE-SORENSEN,B.A.BLACKWELL |
| Literature Reference Citation | CAN.J.CHEM.,75,857(1997) |
| Literature Reference DOI | 10.1139/v97-104 |
| Molecular Weight | 783.278 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP6482 |