| SpectraBase Compound ID | 4Mbq5ZU3J0U |
|---|---|
| InChI | InChI=1S/C27H41BrO5/c1-13-9-20(28)27(32-12-13)14(2)21-19(33-27)11-18-17-6-5-15-10-16(29)7-8-25(15,3)22(17)23(30)24(31)26(18,21)4/h13-22,24,29,31H,5-12H2,1-4H3/t13-,14+,15+,16+,17+,18+,19+,20+,21+,22-,24-,25+,26+,27+/m1/s1 |
| InChIKey | MJCUKEIDOQBABA-GQSLZOLLSA-N |
| Mol Weight | 525.5 g/mol |
| Molecular Formula | C27H41BrO5 |
| Exact Mass | 524.213737 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LRfPIkTgpH8 |
|---|---|
| Name | (25R)-23-ALPHA-BROMO-3-BETA,12-BETA-DIHYDROXY-5-ALPHA-SPIROSTAN-11-ONE |
| Compound Number | 38 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H41BrO5 |
| InChI | InChI=1S/C27H41BrO5/c1-13-9-20(28)27(32-12-13)14(2)21-19(33-27)11-18-17-6-5-15-10-16(29)7-8-25(15,3)22(17)23(30)24(31)26(18,21)4/h13-22,24,29,31H,5-12H2,1-4H3/t13-,14+,15+,16+,17+,18+,19+,20+,21+,22-,24-,25+,26+,27+/m1/s1 |
| InChIKey | MJCUKEIDOQBABA-GQSLZOLLSA-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 | 525.524 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS22126 |