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1-(4-chlorophenyl)-2-[(8R,9S,13S,14S,17S)-13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl]ethanone

View entire compound with spectra: 1 MS (GC)

1-(4-chlorophenyl)-2-[(8R,9S,13S,14S,17S)-13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl]ethanone
SpectraBase Compound ID 88kVYjYQo4o
InChI InChI=1S/C26H29ClO3/c1-26-11-10-19-20(22(26)8-9-25(26)30)7-4-16-13-24(29)17(12-21(16)19)14-23(28)15-2-5-18(27)6-3-15/h2-3,5-6,12-13,19-20,22,25,29-30H,4,7-11,14H2,1H3/t19-,20+,22-,25-,26-/m0/s1
InChIKey ZXQYWIARHULYEN-IASQOJPJSA-N
Mol Weight 424.97 g/mol
Molecular Formula C26H29ClO3
Exact Mass 424.180522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L6tSz8LPj8w
Name 1-(4-chlorophenyl)-2-[(8R,9S,13S,14S,17S)-13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl]ethanone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H29ClO3
InChI InChI=1S/C26H29ClO3/c1-26-11-10-19-20(22(26)8-9-25(26)30)7-4-16-13-24(29)17(12-21(16)19)14-23(28)15-2-5-18(27)6-3-15/h2-3,5-6,12-13,19-20,22,25,29-30H,4,7-11,14H2,1H3/t19-,20+,22-,25-,26-/m0/s1
InChIKey ZXQYWIARHULYEN-IASQOJPJSA-N
Molecular Weight 424.968 g/mol
SMILES O[C@]1(CC[C@]2([C@@]3(CCc4c(cc(c(c4)O)CC(c4ccc(cc4)Cl)=O)[C@]3(CC[C@]12C)[H])[H])[H])[H]
SPLASH splash10-03di-0009000000-429b8ec7677ce2891562
Source of Spectrum D8-330-296-11
Synonyms 1-(4-chlorophenyl)-2-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl]ethanone
Wiley ID 1516487