| SpectraBase Compound ID | 6Kl7nvk39Fm |
|---|---|
| InChI | InChI=1S/C27H42O4/c1-17(6-11-25(29)30-5)22-9-10-23-21-8-7-19-16-20(31-18(2)28)12-14-26(19,3)24(21)13-15-27(22,23)4/h7,17,20-24H,6,8-16H2,1-5H3/t17-,20+,21+,22-,23+,24+,26+,27-/m1/s1 |
| InChIKey | FDKJNVMJOZNFQP-XCFZJUKMSA-N |
| Mol Weight | 430.6 g/mol |
| Molecular Formula | C27H42O4 |
| Exact Mass | 430.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2vVVSoZJKOW |
|---|---|
| Name | 3-ACETOXY-METHYL-5-BETA-CHOL-5(6)-ENOATE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42O4 |
| InChI | InChI=1S/C27H42O4/c1-17(6-11-25(29)30-5)22-9-10-23-21-8-7-19-16-20(31-18(2)28)12-14-26(19,3)24(21)13-15-27(22,23)4/h7,17,20-24H,6,8-16H2,1-5H3/t17-,20+,21+,22-,23+,24+,26+,27-/m1/s1 |
| InChIKey | FDKJNVMJOZNFQP-XCFZJUKMSA-N |
| Literature Reference Author | T.IIDA,J.GOTO,T.NAMBARA |
| Literature Reference Citation | MAGN.RES.CHEM.,31,421(1993) |
| Literature Reference DOI | 10.1002/mrc.1260310423 |
| Molecular Weight | 430.628 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMR167 |