| SpectraBase Compound ID | J8QU8agfSyi |
|---|---|
| InChI | InChI=1S/C29H46O7/c1-16(7-10-26(33)34-6)21-8-9-22-27-23(15-25(32)29(21,22)5)28(4)12-11-20(35-17(2)30)13-19(28)14-24(27)36-18(3)31/h16,19-25,27,32H,7-15H2,1-6H3/t16-,19+,20-,21-,22+,23+,24-,25+,27+,28+,29-/m1/s1 |
| InChIKey | VKXXPYARELKQOY-CXFLVZIOSA-N |
| Mol Weight | 506.7 g/mol |
| Molecular Formula | C29H46O7 |
| Exact Mass | 506.324354 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CCSOOV0fJaL |
|---|---|
| Name | Cholic acid, methyl ester, 3,7-diacetate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H46O7 |
| InChI | InChI=1S/C29H46O7/c1-16(7-10-26(33)34-6)21-8-9-22-27-23(15-25(32)29(21,22)5)28(4)12-11-20(35-17(2)30)13-19(28)14-24(27)36-18(3)31/h16,19-25,27,32H,7-15H2,1-6H3/t16-,19+,20-,21-,22+,23+,24-,25+,27+,28+,29-/m1/s1 |
| InChIKey | VKXXPYARELKQOY-CXFLVZIOSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 26719M |
| Solvent | CDCl3 |