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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)

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
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
Synonyms 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
Wiley ID 1735036