| SpectraBase Compound ID | Gk0yga8MeL8 |
|---|---|
| InChI | InChI=1S/C27H40O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-16,18-21,23-24H,5-14H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24-,25+,26-,27+/m0/s1 |
| InChIKey | CGXQJOWMWZPOPV-QRDXAFIESA-N |
| Mol Weight | 428.6 g/mol |
| Molecular Formula | C27H40O4 |
| Exact Mass | 428.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3mDzZYFBLdW |
|---|---|
| Name | NEOCHLOROGENONE;(25R)-5-ALPHA-SPIROSTAN-3,6-DIONE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H40O4 |
| InChI | InChI=1S/C27H40O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-16,18-21,23-24H,5-14H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24-,25+,26-,27+/m0/s1 |
| InChIKey | CGXQJOWMWZPOPV-QRDXAFIESA-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 | 428.612 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS22100 |