| SpectraBase Compound ID | LYv8oL8WpfR |
|---|---|
| InChI | InChI=1S/C29H42Br2O5/c1-14-10-22(30)29(34-13-14)15(2)23-21(36-29)12-20-19-7-6-17-11-18(35-16(3)32)8-9-27(17,4)24(19)25(31)26(33)28(20,23)5/h14-15,17-25H,6-13H2,1-5H3/t14-,15+,17+,18+,19+,20+,21+,22+,23+,24-,25+,27+,28+,29+/m1/s1 |
| InChIKey | ODNHSBHFMCADFJ-RQOFWZKNSA-N |
| Mol Weight | 630.5 g/mol |
| Molecular Formula | C29H42Br2O5 |
| Exact Mass | 628.1399 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LT0LtXbB5Qw |
|---|---|
| Name | (25R)-3-BETA-ACETOXY-11-ALPHA,23-ALPHA-DIBROMO-5-ALPHA-SPIROSTAN-12-ONE |
| Compound Number | 39 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H42Br2O5 |
| InChI | InChI=1S/C29H42Br2O5/c1-14-10-22(30)29(34-13-14)15(2)23-21(36-29)12-20-19-7-6-17-11-18(35-16(3)32)8-9-27(17,4)24(19)25(31)26(33)28(20,23)5/h14-15,17-25H,6-13H2,1-5H3/t14-,15+,17+,18+,19+,20+,21+,22+,23+,24-,25+,27+,28+,29+/m1/s1 |
| InChIKey | ODNHSBHFMCADFJ-RQOFWZKNSA-N |
| Literature Reference Author | P.K.AGRAWAL,D.C.JAIN,A.K.PATHAK |
| Literature Reference Citation | MAGN.RES.CHEM.,33,923(1995) |
| Literature Reference DOI | 10.1002/mrc.1260331202 |
| Molecular Weight | 630.457 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS22127 |