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(5R,8R,9S,10S,13S,14S,16S)-10,13-dimethyl-16-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one

View entire compound with spectra: 1 MS (GC)

(5R,8R,9S,10S,13S,14S,16S)-10,13-dimethyl-16-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
SpectraBase Compound ID 4WqLjUkigpI
InChI InChI=1S/C19H30O2/c1-18-9-4-3-5-12(18)6-7-13-14(18)8-10-19(2)15(13)11-16(20)17(19)21/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1
InChIKey BHZXMBDTBMXJAX-BNSUEQOYSA-N
Mol Weight 290.45 g/mol
Molecular Formula C19H30O2
Exact Mass 290.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4Y0BDI9REu
Name (5R,8R,9S,10S,13S,14S,16S)-10,13-dimethyl-16-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CAS Registry Number 112925-02-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30O2
InChI InChI=1S/C19H30O2/c1-18-9-4-3-5-12(18)6-7-13-14(18)8-10-19(2)15(13)11-16(20)17(19)21/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1
InChIKey BHZXMBDTBMXJAX-BNSUEQOYSA-N
Molecular Weight 290.447 g/mol
SMILES O[C@@]1(C([C@@]2([C@]([C@@]3(CC[C@@]4([C@]([C@]3(CC2)[H])(C)CCCC4)[H])[H])(C1)[H])C)=O)[H]
SPLASH splash10-014l-0390000000-c4ee20090e3c88618578
Source of Spectrum J-54-5952-31
Synonyms (5R,8R,9S,10S,13S,14S,16S)-16-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
Wiley ID 1294048