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3,4,4a,9,10,10a.alpha.-hexahydro-7-methoxy-1,4a.beta.-dimethyl-2-hydroxy-3-phenanthrone
SpectraBase Compound ID LIQg8KmjGbv
InChI InChI=1S/C17H20O3/c1-10-13-6-4-11-8-12(20-3)5-7-14(11)17(13,2)9-15(18)16(10)19/h5,7-8,13,19H,4,6,9H2,1-3H3/t13-,17-/m0/s1
InChIKey MBHKDAYUWPYMAI-GUYCJALGSA-N
Mol Weight 272.34 g/mol
Molecular Formula C17H20O3
Exact Mass 272.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6JbN8zGivln
Name 3,4,4a,9,10,10a.alpha.-hexahydro-7-methoxy-1,4a.beta.-dimethyl-2-hydroxy-3-phenanthrone
CAS Registry Number 113998-20-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O3
InChI InChI=1S/C17H20O3/c1-10-13-6-4-11-8-12(20-3)5-7-14(11)17(13,2)9-15(18)16(10)19/h5,7-8,13,19H,4,6,9H2,1-3H3/t13-,17-/m0/s1
InChIKey MBHKDAYUWPYMAI-GUYCJALGSA-N
Molecular Weight 272.344 g/mol
SMILES OC=1C(C[C@]2([C@](C1C)(CCc1c2ccc(OC)c1)[H])C)=O
SPLASH splash10-006x-9560000000-44d94de54d0ca9296e21
Source of Spectrum J-53-2595-7
Synonyms (4aS,10aR)-2-hydroxy-7-methoxy-1,4a-dimethyl-4a,9,10,10a-tetrahydro-3(4H)-phenanthrenone
Wiley ID 1276449