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1.beta.,2.beta.,3.beta.,4,4a,9,10,10a.alpha.-octahydro-7-methoxy-1.alpha.,4a.beta.-dimethyl-2.alpha.,3.alpha.-phenanthradiol

View entire compound with spectra: 1 MS (GC)

1.beta.,2.beta.,3.beta.,4,4a,9,10,10a.alpha.-octahydro-7-methoxy-1.alpha.,4a.beta.-dimethyl-2.alpha.,3.alpha.-phenanthradiol
SpectraBase Compound ID CA9ciVcbCBL
InChI InChI=1S/C17H24O3/c1-10-13-6-4-11-8-12(20-3)5-7-14(11)17(13,2)9-15(18)16(10)19/h5,7-8,10,13,15-16,18-19H,4,6,9H2,1-3H3/t10-,13-,15+,16-,17-/m0/s1
InChIKey UZHHRCDQSKQDLZ-NCXNVXSHSA-N
Mol Weight 276.38 g/mol
Molecular Formula C17H24O3
Exact Mass 276.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HIYHbNbFWK1
Name 1.beta.,2.beta.,3.beta.,4,4a,9,10,10a.alpha.-octahydro-7-methoxy-1.alpha.,4a.beta.-dimethyl-2.alpha.,3.alpha.-phenanthradiol
CAS Registry Number 113998-28-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O3
InChI InChI=1S/C17H24O3/c1-10-13-6-4-11-8-12(20-3)5-7-14(11)17(13,2)9-15(18)16(10)19/h5,7-8,10,13,15-16,18-19H,4,6,9H2,1-3H3/t10-,13-,15+,16-,17-/m0/s1
InChIKey UZHHRCDQSKQDLZ-NCXNVXSHSA-N
Molecular Weight 276.376 g/mol
SMILES O[C@]1([C@]([C@]([C@]2([C@](C1)(c1c(CC2)cc(cc1)OC)C)[H])(C)[H])(O)[H])[H]
SPLASH splash10-002f-0190000000-65ef44c6d92bc05b2c0e
Source of Spectrum J-53-2597-16
Synonyms (1S,2S,3R,4aS,10aS)-7-methoxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-2,3-phenanthrenediol
Wiley ID 1280352