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12-{2-Hydroxy-3-[(2-phenylethyl)amino] propoxy}abieta-8,11,13-trien-7-one
SpectraBase Compound ID FzHA3GdkfC1
InChI InChI=1S/C31H43NO3/c1-21(2)24-16-25-26(31(5)14-9-13-30(3,4)29(31)18-27(25)34)17-28(24)35-20-23(33)19-32-15-12-22-10-7-6-8-11-22/h6-8,10-11,16-17,21,23,29,32-33H,9,12-15,18-20H2,1-5H3/t23?,29-,31+/m0/s1
InChIKey YDFLDRHHXLFJBI-LEFCUGMWSA-N
Mol Weight 477.7 g/mol
Molecular Formula C31H43NO3
Exact Mass 477.324294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID It0R5v8TUuH
Name 12-{2-Hydroxy-3-[(2-phenylethyl)amino] propoxy}abieta-8,11,13-trien-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H43NO3
InChI InChI=1S/C31H43NO3/c1-21(2)24-16-25-26(31(5)14-9-13-30(3,4)29(31)18-27(25)34)17-28(24)35-20-23(33)19-32-15-12-22-10-7-6-8-11-22/h6-8,10-11,16-17,21,23,29,32-33H,9,12-15,18-20H2,1-5H3/t23?,29-,31+/m0/s1
InChIKey YDFLDRHHXLFJBI-LEFCUGMWSA-N
Molecular Weight 477.689 g/mol
SMILES OC(CNCCc1ccccc1)COc1cc2[C@@]3([C@@](CC(c2cc1C(C)C)=O)(C(CCC3)(C)C)[H])C
SPLASH splash10-000i-1309000000-68c458b789925a1538bd
Source of Spectrum EMC-41-1330-4b
Synonyms (4aS,10aS)-6-(2-hydroxy-3-(phenethylamino)propoxy)-7-isopropyl-1,1,4a-trimethyl-2,3,4,4a,10,10a-hexahydrophenanthren-9(1H)-one (4aS,10aS)-6-[2-hydroxy-3-(2-phenylethylamino)propoxy]-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one (4aS,10aS)-6-[2-hydroxy-3-(2-phenylethylamino)propoxy]-7-isopropyl-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one (4aS,10aS)-1,1,4a-trimethyl-6-[2-oxidanyl-3-(2-phenylethylamino)propoxy]-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
Wiley ID 1735040