(2S,3R,5R,8S,9S,10R,13R,14S,17R)-1,1,3,5-tetradeuterio-17-[(1R)-1,5-dimethylhexyl]-2-methoxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-one

SpectraBase Compound ID	7zdy1w0Tsg4
InChI	InChI=1S/C28H48O2/c1-18(2)8-7-9-19(3)22-12-13-23-21-10-11-25-26(29)16-20(30-6)17-28(25,5)24(21)14-15-27(22,23)4/h18-25H,7-17H2,1-6H3/t19-,20+,21+,22-,23+,24+,25+,27-,28-/m1/s1/i16D,17D2,25D/t16-,19-,20+,21+,22-,23+,24+,25+,27-,28-
InChIKey	ZFFOHIDFGCESSS-VHGIKOJZSA-N Google Search
Mol Weight	420.7 g/mol
Molecular Formula	C28H44D4O2
Exact Mass	420.390538 g/mol

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SpectraBase Spectrum ID	D7fA8vWqe3L
Name	(2S,3R,5R,8S,9S,10R,13R,14S,17R)-1,1,3,5-tetradeuterio-17-[(1R)-1,5-dimethylhexyl]-2-methoxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-one
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H44D4O2
InChI	InChI=1S/C28H48O2/c1-18(2)8-7-9-19(3)22-12-13-23-21-10-11-25-26(29)16-20(30-6)17-28(25,5)24(21)14-15-27(22,23)4/h18-25H,7-17H2,1-6H3/t19-,20+,21+,22-,23+,24+,25+,27-,28-/m1/s1/i16D,17D2,25D/t16-,19-,20+,21+,22-,23+,24+,25+,27-,28-
InChIKey	ZFFOHIDFGCESSS-VHGIKOJZSA-N
Molecular Weight	420.714 g/mol
SMILES	[C@]12(C([C@]([C@@]([D])(C([C@@]2(CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])[D])=O)[H])(OC)[H])([D])[D])C
SPLASH	splash10-05gl-9013600000-e45faefcbbe1e4dde7b9
Source of Spectrum	KC-0-3248-48
Synonyms	(2S,3R,5R,8S,9S,10R,13R,14S,17R)-1,1,3,5-tetradeuterio-2-methoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-one
Wiley ID	782645