| SpectraBase Compound ID | 2G33iekr7yo |
|---|---|
| InChI | InChI=1S/C28H46N2O2/c1-8-17(2)26(32)29-24-15-19-9-10-20-22-12-11-21(18(3)30(6)7)27(22,4)14-13-23(20)28(19,5)16-25(24)31/h8,12,18-21,23-25,31H,9-11,13-16H2,1-7H3,(H,29,32)/b17-8+/t18?,19?,20-,21+,23-,24+,25-,27+,28-/m0/s1 |
| InChIKey | WMTPKMXEFCPAAK-BMLCMCTOSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C28H46N2O2 |
| Exact Mass | 442.355929 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KfmoyahD01c |
|---|---|
| Name | 2-Hydroxysalignarine E |
| Alternate Name(s) | (2E)-N-[(2beta,3beta)-20-(dimethylamino)-2-hydroxypregn-14-en-3-yl]-2-methyl-2-butenamide 20-(Dimethylamino)-2.beta.-hydroxy-3.beta.-(tigloylamino)pregn-14-ene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H46N2O2 |
| InChI | InChI=1S/C28H46N2O2/c1-8-17(2)26(32)29-24-15-19-9-10-20-22-12-11-21(18(3)30(6)7)27(22,4)14-13-23(20)28(19,5)16-25(24)31/h8,12,18-21,23-25,31H,9-11,13-16H2,1-7H3,(H,29,32)/b17-8+/t18?,19?,20-,21+,23-,24+,25-,27+,28-/m0/s1 |
| InChIKey | WMTPKMXEFCPAAK-BMLCMCTOSA-N |
| Molecular Weight | 442.688 g/mol |
| SMILES | O[C@@]1([C@@](CC2[C@](C1)([C@]1(CC[C@@]3([C@](CC=C3[C@@]1(CC2)[H])(C(C)N(C)C)[H])C)[H])C)(NC(\C(C)=C\C)=O)[H])[H] |
| SPLASH | splash10-004i-3000900000-4dd4af364ddbf9ba807c |
| Source of Spectrum | H-87-447-1 |
| Wiley ID | 1563603 |