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(8S,9S,11S,13S,14S,16R)-11-ethyl-13-methyl-3,16-bis(oxidanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

View entire compound with spectra: 1 MS (GC)

(8S,9S,11S,13S,14S,16R)-11-ethyl-13-methyl-3,16-bis(oxidanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
SpectraBase Compound ID A92MhYVaCrd
InChI InChI=1S/C20H26O3/c1-3-11-10-20(2)16(9-17(22)19(20)23)15-6-4-12-8-13(21)5-7-14(12)18(11)15/h5,7-8,11,15-18,21-22H,3-4,6,9-10H2,1-2H3/t11-,15-,16-,17+,18+,20-/m0/s1
InChIKey UTKCYZZCQUWRSS-OPLPGRBKSA-N
Mol Weight 314.43 g/mol
Molecular Formula C20H26O3
Exact Mass 314.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mFPgLzlE3R
Name (8S,9S,11S,13S,14S,16R)-11-ethyl-13-methyl-3,16-bis(oxidanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O3
InChI InChI=1S/C20H26O3/c1-3-11-10-20(2)16(9-17(22)19(20)23)15-6-4-12-8-13(21)5-7-14(12)18(11)15/h5,7-8,11,15-18,21-22H,3-4,6,9-10H2,1-2H3/t11-,15-,16-,17+,18+,20-/m0/s1
InChIKey UTKCYZZCQUWRSS-OPLPGRBKSA-N
Molecular Weight 314.425 g/mol
SMILES O[C@@]1(C[C@]2([C@@]3(CCc4c(ccc(c4)O)[C@]3([C@](C[C@@]2(C1=O)C)(CC)[H])[H])[H])[H])[H]
SPLASH splash10-01vk-0933000000-06fb64be07ffb2638fab
Source of Spectrum E1-36-1626-4
Synonyms (8S,9S,11S,13S,14S,16R)-11-ethyl-3,16-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Wiley ID 1574667