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MONTBRETOL
SpectraBase Compound ID BmlTnLmg2Cp
InChI InChI=1S/C20H26O3/c1-11(2)12-9-13-14(10-15(12)21)20(5)8-6-7-19(3,4)18(20)17(23)16(13)22/h9-11,21,23H,6-8H2,1-5H3/t20-/m1/s1
InChIKey XLUHSPYVUOVWRM-HXUWFJFHSA-N
Mol Weight 314.43 g/mol
Molecular Formula C20H26O3
Exact Mass 314.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7v1hHIucdlP
Name (4aR)-1,1,4a-trimethyl-6,10-bis(oxidanyl)-7-propan-2-yl-3,4-dihydro-2H-phenanthren-9-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O3
InChI InChI=1S/C20H26O3/c1-11(2)12-9-13-14(10-15(12)21)20(5)8-6-7-19(3,4)18(20)17(23)16(13)22/h9-11,21,23H,6-8H2,1-5H3/t20-/m1/s1
InChIKey XLUHSPYVUOVWRM-HXUWFJFHSA-N
Molecular Weight 314.425 g/mol
SMILES OC1=C2[C@@](c3c(cc(c(c3)O)C(C)C)C1=O)(CCCC2(C)C)C
SPLASH splash10-006x-9262000000-dbf4783deebba1ef4250
Source of Spectrum X2-55-443-1
Synonyms (4aR)-6,10-dihydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4-dihydro-2H-phenanthren-9-one (4aR)-6,10-dihydroxy-7-isopropyl-1,1,4a-trimethyl-3,4-dihydro-2H-phenanthren-9-one
Wiley ID 1604424