| SpectraBase Compound ID | 7Dgmq3Vz91M |
|---|---|
| InChI | InChI=1S/C32H46N2O3/c1-20(34(5)6)24-14-15-25-23-12-13-27-29(37-21(2)35)28(33-30(36)22-10-8-7-9-11-22)17-19-32(27,4)26(23)16-18-31(24,25)3/h7-11,17,20,23-27,29H,12-16,18-19H2,1-6H3,(H,33,36)/t20?,23?,24-,25?,26?,27+,29-,31-,32-/m1/s1 |
| InChIKey | LANJPWZPYVPLQZ-FDDZOIMHSA-N |
| Mol Weight | 506.7 g/mol |
| Molecular Formula | C32H46N2O3 |
| Exact Mass | 506.350843 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6EUkULG8Uvk |
|---|---|
| Name | 20-(Dimethylamino)-3-(benzoylamino)-5.alpha.-pregn-2-en-4.beta.-yl Acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H46N2O3 |
| InChI | InChI=1S/C32H46N2O3/c1-20(34(5)6)24-14-15-25-23-12-13-27-29(37-21(2)35)28(33-30(36)22-10-8-7-9-11-22)17-19-32(27,4)26(23)16-18-31(24,25)3/h7-11,17,20,23-27,29H,12-16,18-19H2,1-6H3,(H,33,36)/t20?,23?,24-,25?,26?,27+,29-,31-,32-/m1/s1 |
| InChIKey | LANJPWZPYVPLQZ-FDDZOIMHSA-N |
| Molecular Weight | 506.731 g/mol |
| SMILES | N(C1=CC[C@@]2(C3C(C4CC[C@@]([C@]4(CC3)C)(C(N(C)C)C)[H])CC[C@]2([C@]1(OC(=O)C)[H])[H])C)C(=O)c1ccccc1 |
| SPLASH | splash10-0a4i-0900000000-11fc6c7db4f79de3da90 |
| Source of Spectrum | G4-61-1261-3 |
| Synonyms | (4beta,5alpha,20S)-3-(benzoylamino)-20-(dimethylamino)pregn-2-en-4-yl acetate |
| Wiley ID | 1607519 |