![METHYL-3-ALPHA,7-ALPHA-BIS-[(PHENYLAMINOCARBONYL)-OXY]-12-ALPHA-[N-(TERT.-BUTOXYCARBONYL)-AMINO]-5-BETA-CHOLAN-24-OATE](/api/spectrum/JqqX1SeLDJy/structure.png?h=300&w=458 "METHYL-3-ALPHA,7-ALPHA-BIS-[(PHENYLAMINOCARBONYL)-OXY]-12-ALPHA-[N-(TERT.-BUTOXYCARBONYL)-AMINO]-5-BETA-CHOLAN-24-OATE")
| SpectraBase Compound ID | LhQ3GdRy5TX |
|---|---|
| InChI | InChI=1S/C44H61N3O8/c1-27(18-21-37(48)52-7)32-19-20-33-38-34(26-36(44(32,33)6)47-41(51)55-42(2,3)4)43(5)23-22-31(53-39(49)45-29-14-10-8-11-15-29)24-28(43)25-35(38)54-40(50)46-30-16-12-9-13-17-30/h8-17,27-28,31-36,38H,18-26H2,1-7H3,(H,45,49)(H,46,50)(H,47,51)/t27-,28+,31-,32-,33+,34+,35-,36+,38+,43+,44-/m1/s1 |
| InChIKey | WUASKKCOSBFWLB-XLYPJMSHSA-N |
| Mol Weight | 760.0 g/mol |
| Molecular Formula | C44H61N3O8 |
| Exact Mass | 759.445866 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JqqX1SeLDJy |
|---|---|
| Name | METHYL-3-ALPHA,7-ALPHA-BIS-[(PHENYLAMINOCARBONYL)-OXY]-12-ALPHA-[N-(TERT.-BUTOXYCARBONYL)-AMINO]-5-BETA-CHOLAN-24-OATE |
| Compound Number | D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H61N3O8 |
| InChI | InChI=1S/C44H61N3O8/c1-27(18-21-37(48)52-7)32-19-20-33-38-34(26-36(44(32,33)6)47-41(51)55-42(2,3)4)43(5)23-22-31(53-39(49)45-29-14-10-8-11-15-29)24-28(43)25-35(38)54-40(50)46-30-16-12-9-13-17-30/h8-17,27-28,31-36,38H,18-26H2,1-7H3,(H,45,49)(H,46,50)(H,47,51)/t27-,28+,31-,32-,33+,34+,35-,36+,38+,43+,44-/m1/s1 |
| InChIKey | WUASKKCOSBFWLB-XLYPJMSHSA-N |
| Literature Reference Author | L.SIRACUSA,F.M.HURLEY,S.DRESEN,L.J.LAWLESS,M.N.PEREZ-PAYAN,A .P.DAVIS |
| Literature Reference Citation | ORG.LETTERS,4,4639(2002) |
| Literature Reference DOI | 10.1021/ol027009l |
| Molecular Weight | 759.984 g/mol |
| Sample ID | 38106 |
| Solvent | CDCl3 |