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(5R,8S,9S,10S,13R,14S,17R)-2,4,4-Trideuterio-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-3-one

View entire compound with spectra: 1 MS (GC)

(5R,8S,9S,10S,13R,14S,17R)-2,4,4-Trideuterio-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-3-one
SpectraBase Compound ID D2o5Crg5Vzk
InChI InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h13,15,18-20,22-25H,6-12,14,16-17H2,1-5H3/t19-,20-,22+,23-,24+,25+,26+,27-/m1/s1/i13D,17D2
InChIKey IIPHPVVRBVBREZ-XIBWVVKJSA-N
Mol Weight 387.7 g/mol
Molecular Formula C27H41D3O
Exact Mass 387.358046 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1dPszDIdeK
Name (5R,8S,9S,10S,13R,14S,17R)-2,4,4-Trideuterio-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H41D3O
InChI InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h13,15,18-20,22-25H,6-12,14,16-17H2,1-5H3/t19-,20-,22+,23-,24+,25+,26+,27-/m1/s1/i13D,17D2
InChIKey IIPHPVVRBVBREZ-XIBWVVKJSA-N
Molecular Weight 387.666 g/mol
SMILES [C@@]12([C@@](C(C(=O)C(=C2)[D])([D])[D])(CC[C@]2([C@]3([C@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC3)[H])(C)CC[C@]12[H])[H])[H])[H])C
SPLASH splash10-01ti-1902000000-15fad015a6d5d7169602
Source of Spectrum KC-1992-3108-11
Synonyms (5R,8S,9S,10S,13R,14S,17R)-2,4,4-Trideuterio-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-3-one
Wiley ID 777375