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SJSSLQVSAGPTLO-OAQYLSRUSA-N
SpectraBase Compound ID HToI1wNF5jS
InChI InChI=1S/C21H28O3/c1-12(2)13-10-14-15(11-16(13)24-6)21(5)9-7-8-20(3,4)19(21)18(23)17(14)22/h10-12,23H,7-9H2,1-6H3/t21-/m1/s1
InChIKey SJSSLQVSAGPTLO-OAQYLSRUSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JflYsyAcvqF
Name (4aR)-10-hydroxy-6-methoxy-1,1,4a-trimethyl-7-propan-2-yl-3,4-dihydro-2H-phenanthren-9-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-12(2)13-10-14-15(11-16(13)24-6)21(5)9-7-8-20(3,4)19(21)18(23)17(14)22/h10-12,23H,7-9H2,1-6H3/t21-/m1/s1
InChIKey SJSSLQVSAGPTLO-OAQYLSRUSA-N
Molecular Weight 328.452 g/mol
SMILES OC1=C2[C@@](c3c(C1=O)cc(c(c3)OC)C(C)C)(CCCC2(C)C)C
SPLASH splash10-056r-0096000000-0502ac9a3d9bcd52d378
Source of Spectrum X2-56-628-2
Synonyms (4aR)-10-hydroxy-7-isopropyl-6-methoxy-1,1,4a-trimethyl-3,4-dihydro-2H-phenanthren-9-one (4aR)-6-methoxy-1,1,4a-trimethyl-10-oxidanyl-7-propan-2-yl-3,4-dihydro-2H-phenanthren-9-one
Wiley ID 1604868