![Pregnan-4-ol, 20-(dimethylamino)-3-[3-(1-methylethyl)-1-azetidinyl]-, (3.beta.,4.beta.)-](/api/spectrum/LZ5ObV8cyYC/structure.png?h=300&w=458 "Pregnan-4-ol, 20-(dimethylamino)-3-[3-(1-methylethyl)-1-azetidinyl]-, (3.beta.,4.beta.)-")
| SpectraBase Compound ID | KmMFpsskrfm |
|---|---|
| InChI | InChI=1S/C29H52N2O/c1-18(2)20-16-31(17-20)26-13-15-29(5)24-12-14-28(4)22(19(3)30(6)7)10-11-23(28)21(24)8-9-25(29)27(26)32/h18-27,32H,8-17H2,1-7H3 |
| InChIKey | SZYULQBIYCNAHP-UHFFFAOYSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C29H52N2O |
| Exact Mass | 444.407964 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LZ5ObV8cyYC |
|---|---|
| Name | Pregnan-4-ol, 20-(dimethylamino)-3-[3-(1-methylethyl)-1-azetidinyl]-, (3.beta.,4.beta.)- |
| CAS Registry Number | 56687-72-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H52N2O |
| InChI | InChI=1S/C29H52N2O/c1-18(2)20-16-31(17-20)26-13-15-29(5)24-12-14-28(4)22(19(3)30(6)7)10-11-23(28)21(24)8-9-25(29)27(26)32/h18-27,32H,8-17H2,1-7H3 |
| InChIKey | SZYULQBIYCNAHP-UHFFFAOYSA-N |
| Molecular Weight | 444.748 g/mol |
| SMILES | OC1C2C(C)(C3C(C4C(CC3)(C)C(C(N(C)C)C)CC4)CC2)CCC1N1CC(C1)C(C)C |
| SPLASH | splash10-00di-1009200000-86a51363c58d67b7545a |
| Source of Spectrum | T-67-4870-0 |
| Synonyms | 20-(Dimethylamino)-3-(3-isopropyl-1-azetidinyl)pregnan-4-ol 17-[1-(dimethylamino)ethyl]-10,13-dimethyl-3-(3-propan-2-yl-1-azetidinyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-ol 17-[1-(dimethylamino)ethyl]-10,13-dimethyl-3-(3-propan-2-ylazetidin-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-ol 17-[1-(dimethylamino)ethyl]-3-(3-isopropylazetidin-1-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-ol |
| Wiley ID | 1386199 |