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(4aS,10aS)-1,1,4a-trimethyl-6,7-bis(oxidanyl)-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
SpectraBase Compound ID KwkiTsjKsSH
InChI InChI=1S/C17H22O3/c1-16(2)5-4-6-17(3)11-8-14(20)13(19)7-10(11)12(18)9-15(16)17/h7-8,15,19-20H,4-6,9H2,1-3H3/t15-,17+/m0/s1
InChIKey JMBKXUYCBVKSSY-DOTOQJQBSA-N
Mol Weight 274.36 g/mol
Molecular Formula C17H22O3
Exact Mass 274.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DiQNYz34Tmg
Name (4aS,10aS)-1,1,4a-trimethyl-6,7-bis(oxidanyl)-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O3
InChI InChI=1S/C17H22O3/c1-16(2)5-4-6-17(3)11-8-14(20)13(19)7-10(11)12(18)9-15(16)17/h7-8,15,19-20H,4-6,9H2,1-3H3/t15-,17+/m0/s1
InChIKey JMBKXUYCBVKSSY-DOTOQJQBSA-N
Molecular Weight 274.360 g/mol
SMILES Oc1c(cc2C(C[C@@]3([C@@](c2c1)(CCCC3(C)C)C)[H])=O)O
SPLASH splash10-05to-6790000000-a7474cf86fbbd3438b68
Source of Spectrum B-46-1825-0
Synonyms (4aS,10aS)-6,7-dihydroxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
Wiley ID 1278438