| SpectraBase Compound ID | DV2GXwXiCxB |
|---|---|
| InChI | InChI=1S/C48H76O4/c1-29-7-17-43(49)51-33-19-23-46(4)32(27-33)10-12-36-40-16-14-38(48(40,6)26-22-42(36)46)30(2)8-18-44(50)52-34-20-24-45(3)31(28-34)9-11-35-39-15-13-37(29)47(39,5)25-21-41(35)45/h29-42H,7-28H2,1-6H3/t29?,30?,31-,32-,33-,34-,35?,36?,37?,38?,39?,40?,41?,42?,45+,46+,47-,48-/m1/s1 |
| InChIKey | ZWBSDHIIMHEEFY-PSXRVFCESA-N |
| Mol Weight | 717.1 g/mol |
| Molecular Formula | C48H76O4 |
| Exact Mass | 716.574361 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E6UmgVxwoNs |
|---|---|
| Name | BIS-CYClOLITHOCHOLATE |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O4 |
| InChI | InChI=1S/C48H76O4/c1-29-7-17-43(49)51-33-19-23-46(4)32(27-33)10-12-36-40-16-14-38(48(40,6)26-22-42(36)46)30(2)8-18-44(50)52-34-20-24-45(3)31(28-34)9-11-35-39-15-13-37(29)47(39,5)25-21-41(35)45/h29-42H,7-28H2,1-6H3/t29?,30?,31-,32-,33-,34-,35?,36?,37?,38?,39?,40?,41?,42?,45+,46+,47-,48-/m1/s1 |
| InChIKey | ZWBSDHIIMHEEFY-PSXRVFCESA-N |
| Literature Reference Author | K.LAPPALAINEN,E.KOLEHMAINEN,J.KOTONEVA |
| Literature Reference Citation | MAGN.RES.CHEM.,34,316(1996) |
| Literature Reference DOI | 10.1002/(sici)1097-458x(199604)34:4<316::aid-omr857>3.0.co;2-z |
| Molecular Weight | 717.129 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRK3760 |