| SpectraBase Compound ID | LXl8H2z1mwp |
|---|---|
| InChI | InChI=1S/C31H48O8/c1-17(8-11-28(35)36-7)23-9-10-24-29-25(16-27(31(23,24)6)39-20(4)34)30(5)13-12-22(37-18(2)32)14-21(30)15-26(29)38-19(3)33/h17,21-27,29H,8-16H2,1-7H3/t17-,21+,22-,23-,24+,25+,26-,27+,29+,30+,31-/m1/s1 |
| InChIKey | VTBGQCBIQJMJJZ-UJDSTXMESA-N |
| Mol Weight | 548.7 g/mol |
| Molecular Formula | C31H48O8 |
| Exact Mass | 548.334918 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GzM0YZKyB3O |
|---|---|
| Name | METHYL-3-ALPHA-7-ALPHA-12-ALPHA-TRIS-(ACETYLOXY)-5-BETA-CHOLAN-24-OATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48O8 |
| InChI | InChI=1S/C31H48O8/c1-17(8-11-28(35)36-7)23-9-10-24-29-25(16-27(31(23,24)6)39-20(4)34)30(5)13-12-22(37-18(2)32)14-21(30)15-26(29)38-19(3)33/h17,21-27,29H,8-16H2,1-7H3/t17-,21+,22-,23-,24+,25+,26-,27+,29+,30+,31-/m1/s1 |
| InChIKey | VTBGQCBIQJMJJZ-UJDSTXMESA-N |
| Literature Reference Author | J.W.BLUNT,J.B.STOTHERS |
| Literature Reference Citation | ORG.MAGN.RES.,9,439(1977) |
| Literature Reference DOI | 10.1002/mrc.1270090802 |
| Molecular Weight | 548.717 g/mol |
| Solvent | DIOXANE |
| Source File Reference | UNIW121 |