![12-[2-Hydroxy-3-(4-morpholinyl)propoxy] abieta-8,11,13-trien-7-one](/api/spectrum/482CtO4Z3DG/structure.png?h=300&w=458 "12-[2-Hydroxy-3-(4-morpholinyl)propoxy] abieta-8,11,13-trien-7-one")
| SpectraBase Compound ID | 3Liq4qvJBlR |
|---|---|
| InChI | InChI=1S/C27H41NO4/c1-18(2)20-13-21-22(27(5)8-6-7-26(3,4)25(27)15-23(21)30)14-24(20)32-17-19(29)16-28-9-11-31-12-10-28/h13-14,18-19,25,29H,6-12,15-17H2,1-5H3/t19?,25-,27+/m0/s1 |
| InChIKey | XGFSUZAOFZKIDC-KKMBHWEUSA-N |
| Mol Weight | 443.6 g/mol |
| Molecular Formula | C27H41NO4 |
| Exact Mass | 443.303559 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 482CtO4Z3DG |
|---|---|
| Name | 12-[2-Hydroxy-3-(4-morpholinyl)propoxy] abieta-8,11,13-trien-7-one |
| Alternate Name(s) | 12-[2-Hydroxy-3-(4-morpholinyl)propoxy]abieta-8,11,13-trien-7-one (4aS,10aS)-6-(2-hydroxy-3-morpholinopropoxy)-7-isopropyl-1,1,4a-trimethyl-2,3,4,4a,10,10a-hexahydrophenanthren-9(1H)-one (4aS,10aS)-6-[2-hydroxy-3-(4-morpholinyl)propoxy]-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one (4aS,10aS)-6-(2-hydroxy-3-morpholin-4-ylpropoxy)-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one (4aS,10aS)-1,1,4a-trimethyl-6-(3-morpholin-4-yl-2-oxidanyl-propoxy)-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H41NO4 |
| InChI | InChI=1S/C27H41NO4/c1-18(2)20-13-21-22(27(5)8-6-7-26(3,4)25(27)15-23(21)30)14-24(20)32-17-19(29)16-28-9-11-31-12-10-28/h13-14,18-19,25,29H,6-12,15-17H2,1-5H3/t19?,25-,27+/m0/s1 |
| InChIKey | XGFSUZAOFZKIDC-KKMBHWEUSA-N |
| Molecular Weight | 443.628 g/mol |
| SMILES | OC(CN1CCOCC1)COc1cc2[C@@]3([C@@](C(CCC3)(C)C)([H])CC(c2cc1C(C)C)=O)C |
| SPLASH | splash10-0udi-0900000000-dbcaca305e98e4ce2891 |
| Source of Spectrum | EMC-41-1331-4j |
| Wiley ID | 1735036 |