| SpectraBase Compound ID | 7V7QJf8VFzk |
|---|---|
| InChI | InChI=1S/C27H41NO/c1-17-5-10-25(28-16-17)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h11,13,15,17-18,21-25,28H,5-10,12,14,16H2,1-4H3 |
| InChIKey | JODMHGJPGVMCIL-UHFFFAOYSA-N |
| Mol Weight | 395.6 g/mol |
| Molecular Formula | C27H41NO |
| Exact Mass | 395.318815 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GpMKsf9Zre9 |
|---|---|
| Name | 16,28-Secosolanid-1,4-dien-3-one, (22.xi.,25.xi.)- |
| CAS Registry Number | 55836-58-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H41NO |
| InChI | InChI=1S/C27H41NO/c1-17-5-10-25(28-16-17)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h11,13,15,17-18,21-25,28H,5-10,12,14,16H2,1-4H3 |
| InChIKey | JODMHGJPGVMCIL-UHFFFAOYSA-N |
| Molecular Weight | 395.631 g/mol |
| SMILES | N1CC(CCC1C(C1C2(C(C3C(C4(C=CC(C=C4CC3)=O)C)CC2)CC1)C)C)C |
| SPLASH | splash10-0002-9100000000-559e75c815081bc30238 |
| Source of Spectrum | NP-14-3476-0 |
| Synonyms | 20-(5-Methyl-2-piperidinyl)pregna-1,4-dien-3-one 10,13-dimethyl-17-[1-(5-methyl-2-piperidinyl)ethyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one 10,13-dimethyl-17-[1-(5-methyl-2-piperidyl)ethyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one 10,13-dimethyl-17-[1-(5-methylpiperidin-2-yl)ethyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one |
| Wiley ID | 1111701 |