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1-[(3S,8R,9S,10R,13S)-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12-octahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
SpectraBase Compound ID JjRycNSWYNE
InChI InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6-7,15-16,19,23H,5,8-12H2,1-3H3/t15-,16-,19-,20-,21+/m0/s1
InChIKey IVIIXTOYHSXNOC-JPKZGUTDSA-N
Mol Weight 312.45 g/mol
Molecular Formula C21H28O2
Exact Mass 312.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7VnSicIkb09
Name 1-[(3S,8R,9S,10R,13S)-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12-octahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
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Formula C21H28O2
InChI InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6-7,15-16,19,23H,5,8-12H2,1-3H3/t15-,16-,19-,20-,21+/m0/s1
InChIKey IVIIXTOYHSXNOC-JPKZGUTDSA-N
Molecular Weight 312.453 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4(C([C@@]3(CC=C2C1)[H])=CC=C4C(=O)C)C)[H])C)[H]
SPLASH splash10-00di-0923000000-13b54b52be7dae3aa101
Source of Spectrum OP-24-161-3
Synonyms 1-[(3S,8R,9S,10R,13S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12-octahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Wiley ID 850413