![BIS-[(7,12-DIMETHOXY-23-METHOXYCARBONYL)-CHOLANYL-3-OXY]-N,N'-XYLYLENE-DICARBAMATE](/api/spectrum/1v0uZwSQmQ2/structure.png?h=300&w=458 "BIS-[(7,12-DIMETHOXY-23-METHOXYCARBONYL)-CHOLANYL-3-OXY]-N,N'-XYLYLENE-DICARBAMATE")
| SpectraBase Compound ID | CBw6Z4ybMJK |
|---|---|
| InChI | InChI=1S/C64H100N2O12/c1-37(16-22-55(67)75-11)45-18-20-47-57-49(33-53(73-9)63(45,47)5)61(3)26-24-43(29-41(61)31-51(57)71-7)77-59(69)65-35-39-14-13-15-40(28-39)36-66-60(70)78-44-25-27-62(4)42(30-44)32-52(72-8)58-48-21-19-46(38(2)17-23-56(68)76-12)64(48,6)54(74-10)34-50(58)62/h13-15,28,37-38,41-54,57-58H,16-27,29-36H2,1-12H3,(H,65,69)(H,66,70)/t37-,38-,41+,42+,43-,44+,45-,46-,47+,48+,49+,50+,51-,52-,53+,54+,57+,58+,61+,62+,63-,64-/m1/s1 |
| InChIKey | WUQFSXLOGBOFPC-OVDDQZBGSA-N |
| Mol Weight | 1089.5 g/mol |
| Molecular Formula | C64H100N2O12 |
| Exact Mass | 1088.727627 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1v0uZwSQmQ2 |
|---|---|
| Name | BIS-[(7,12-DIMETHOXY-23-METHOXYCARBONYL)-CHOLANYL-3-OXY]-N,N'-XYLYLENE-DICARBAMATE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H100N2O12 |
| InChI | InChI=1S/C64H100N2O12/c1-37(16-22-55(67)75-11)45-18-20-47-57-49(33-53(73-9)63(45,47)5)61(3)26-24-43(29-41(61)31-51(57)71-7)77-59(69)65-35-39-14-13-15-40(28-39)36-66-60(70)78-44-25-27-62(4)42(30-44)32-52(72-8)58-48-21-19-46(38(2)17-23-56(68)76-12)64(48,6)54(74-10)34-50(58)62/h13-15,28,37-38,41-54,57-58H,16-27,29-36H2,1-12H3,(H,65,69)(H,66,70)/t37-,38-,41+,42+,43-,44+,45-,46-,47+,48+,49+,50+,51-,52-,53+,54+,57+,58+,61+,62+,63-,64-/m1/s1 |
| InChIKey | WUQFSXLOGBOFPC-OVDDQZBGSA-N |
| Literature Reference Author | C.GOTO,M.YAMAMURA,A.SATAKE,Y.KOBUKE |
| Literature Reference Citation | J.AM.CHEM.SOC.,123,12152(2001) |
| Literature Reference DOI | 10.1021/ja010761h |
| Molecular Weight | 1089.504 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI24137 |