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(+/-)-(1S,4aS,8aR,10aS)-1,4a,8a-Trimethyl-3,4,4a,6,7,8,8a,9,10,10a-decahydrophenanthren-2(1H)-one
SpectraBase Compound ID FXhYXQSnVfS
InChI InChI=1S/C17H26O/c1-12-13-7-10-16(2)9-5-4-6-15(16)17(13,3)11-8-14(12)18/h6,12-13H,4-5,7-11H2,1-3H3/t12-,13-,16+,17-/m0/s1
InChIKey AUZCCHGAERUHLH-CLROSIBMSA-N
Mol Weight 246.39 g/mol
Molecular Formula C17H26O
Exact Mass 246.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BzGUw4tQ4Dg
Name (+/-)-(1S,4aS,8aR,10aS)-1,4a,8a-Trimethyl-3,4,4a,6,7,8,8a,9,10,10a-decahydrophenanthren-2(1H)-one
Appearance Oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26O
InChI InChI=1S/C17H26O/c1-12-13-7-10-16(2)9-5-4-6-15(16)17(13,3)11-8-14(12)18/h6,12-13H,4-5,7-11H2,1-3H3/t12-,13-,16+,17-/m0/s1
InChIKey AUZCCHGAERUHLH-CLROSIBMSA-N
Literature Reference DOI 10.1021/jm101445p
Molecular Weight 246.394 g/mol
SMILES C1C([C@]([C@]2([C@](C1)(C=1[C@@](CC2)(CCCC1)C)C)[H])(C)[H])=O
SPLASH splash10-0544-4980000000-71acfa700b77a886e142
Source of Spectrum AF-54-SM39-120, (+/-)-120
Wiley ID 1848764