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(8R,9S,10R,11S,13S,14R,17S)-13-methyl-17-oxidanyl-17-(3-oxidanylpropyl)-11-(4-pyridin-3-ylphenyl)-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
SpectraBase Compound ID A82LMV4ho3I
InChI InChI=1S/C32H39NO3/c1-31-19-28(22-7-5-21(6-8-22)24-4-2-16-33-20-24)30-26-12-10-25(35)18-23(26)9-11-27(30)29(31)13-15-32(31,36)14-3-17-34/h2,4-8,16,18,20,26-30,34,36H,3,9-15,17,19H2,1H3/t26-,27-,28+,29+,30+,31-,32+/m0/s1
InChIKey MBPYVYLZBIGGPX-NEZFWAQASA-N
Mol Weight 485.7 g/mol
Molecular Formula C32H39NO3
Exact Mass 485.292994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ZdOJB1ucD9
Name (8R,9S,10R,11S,13S,14R,17S)-13-methyl-17-oxidanyl-17-(3-oxidanylpropyl)-11-(4-pyridin-3-ylphenyl)-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H39NO3
InChI InChI=1S/C32H39NO3/c1-31-19-28(22-7-5-21(6-8-22)24-4-2-16-33-20-24)30-26-12-10-25(35)18-23(26)9-11-27(30)29(31)13-15-32(31,36)14-3-17-34/h2,4-8,16,18,20,26-30,34,36H,3,9-15,17,19H2,1H3/t26-,27-,28+,29+,30+,31-,32+/m0/s1
InChIKey MBPYVYLZBIGGPX-NEZFWAQASA-N
Molecular Weight 485.668 g/mol
SMILES O[C@@]1(CCCO)[C@@]2([C@@]([C@@]3(CCC=4[C@@]([C@]3([C@](C2)(c2ccc(cc2)-c2cnccc2)[H])[H])(CCC(=O)C4)[H])[H])(CC1)[H])C
SPLASH splash10-015i-0915600000-c7afc78f4ba1074d283f
Source of Spectrum F-51-5572-26
Synonyms (8R,9S,10R,11S,13S,14R,17S)-17-hydroxy-17-(3-hydroxypropyl)-13-methyl-11-(4-pyridin-3-ylphenyl)-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one (8R,9S,10R,11S,13S,14R,17S)-17-hydroxy-17-(3-hydroxypropyl)-13-methyl-11-[4-(3-pyridinyl)phenyl]-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one (8R,9S,10R,11S,13S,14R,17S)-17-hydroxy-17-(3-hydroxypropyl)-13-methyl-11-[4-(3-pyridyl)phenyl]-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Wiley ID 791906