![(3R,5S,8R,9S,10S,13R,14S,17R)-2',2'-dichloro-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-cyclobutane]-1'-one](/api/spectrum/3z8tfRHA92K/structure.png?h=300&w=458 "(3R,5S,8R,9S,10S,13R,14S,17R)-2',2'-dichloro-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-cyclobutane]-1'-one")
| SpectraBase Compound ID | DN7Mczk2Xfq |
|---|---|
| InChI | InChI=1S/C30H48Cl2O/c1-19(2)7-6-8-20(3)23-11-12-24-22-10-9-21-17-29(18-26(33)30(29,31)32)16-15-27(21,4)25(22)13-14-28(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21+,22+,23-,24+,25+,27+,28-,29-/m1/s1 |
| InChIKey | CFEGNMIONRHTQI-PHEUYXDDSA-N |
| Mol Weight | 495.6 g/mol |
| Molecular Formula | C30H48Cl2O |
| Exact Mass | 494.308222 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3z8tfRHA92K |
|---|---|
| Name | (3R,5S,8R,9S,10S,13R,14S,17R)-2',2'-dichloro-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-cyclobutane]-1'-one |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48Cl2O |
| InChI | InChI=1S/C30H48Cl2O/c1-19(2)7-6-8-20(3)23-11-12-24-22-10-9-21-17-29(18-26(33)30(29,31)32)16-15-27(21,4)25(22)13-14-28(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21+,22+,23-,24+,25+,27+,28-,29-/m1/s1 |
| InChIKey | CFEGNMIONRHTQI-PHEUYXDDSA-N |
| Literature Reference Author | K.BLASZCZYK,Z.PARYZEK |
| Literature Reference Citation | MAGN.RES.CHEM.,34,560(1996) |
| Literature Reference DOI | 10.1002/(sici)1097-458x(199607)34:7<560::aid-omr908>3.0.co;2-t |
| Molecular Weight | 495.617 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRK3776 |