| SpectraBase Compound ID | BR4d31XJa5l |
|---|---|
| InChI | InChI=1S/C22H38N2O/c1-14(23)18-6-7-20-17-5-4-15-12-16(24-3)8-10-21(15,2)19(17)9-11-22(18,20)13-25/h4,14,16-20,24-25H,5-13,23H2,1-3H3 |
| InChIKey | IWPHKBURLTUNJI-UHFFFAOYSA-N |
| Mol Weight | 346.6 g/mol |
| Molecular Formula | C22H38N2O |
| Exact Mass | 346.298414 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4faBzRYrHFL |
|---|---|
| Name | Pregn-5-en-18-ol, 20-amino-3-(methylamino)-, (3.beta.,20S)- |
| CAS Registry Number | 27741-48-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H38N2O |
| InChI | InChI=1S/C22H38N2O/c1-14(23)18-6-7-20-17-5-4-15-12-16(24-3)8-10-21(15,2)19(17)9-11-22(18,20)13-25/h4,14,16-20,24-25H,5-13,23H2,1-3H3 |
| InChIKey | IWPHKBURLTUNJI-UHFFFAOYSA-N |
| Molecular Weight | 346.559 g/mol |
| SMILES | OCC12C(C(C)N)CCC2C2C(CC1)C1(C)C(=CC2)CC(CC1)NC |
| SPLASH | splash10-00di-9110000000-ba6736f7fc72fcba9fa9 |
| Source of Spectrum | O-3-806-6 |
| Synonyms | 20-Amino-3-(methylamino)pregn-5-en-18-ol Monomethylholarrhimine II N3-Methylholarrhimine Pregn-5-en-18-ol, 20.alpha.-amino-3.beta.-(methylamino)- [17-(1-aminoethyl)-10-methyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-13-yl]methanol [17-(1-azanylethyl)-10-methyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-13-yl]methanol |
| Wiley ID | 1339673 |