(1S,2R,5R,8S,9S,10S,13R,14S,17R)-2,4,4-trideuterio-1-methoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one

SpectraBase Compound ID	IaUbvbWsE5h
InChI	InChI=1S/C28H48O2/c1-18(2)8-7-9-19(3)23-12-13-24-22-11-10-20-16-21(29)17-26(30-6)28(20,5)25(22)14-15-27(23,24)4/h18-20,22-26H,7-17H2,1-6H3/t19-,20-,22+,23-,24+,25+,26+,27-,28+/m1/s1/i16D2,17D/t17-,19+,20+,22-,23+,24-,25-,26-,27+,28-/m0
InChIKey	ZBCKSCITMSBHBC-YIMYYTFPSA-N Google Search
Mol Weight	419.7 g/mol
Molecular Formula	C28H45D3O2
Exact Mass	419.384261 g/mol

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SpectraBase Spectrum ID	AP3KQsd4mo0
Name	(1S,2R,5R,8S,9S,10S,13R,14S,17R)-2,4,4-trideuterio-1-methoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H45D3O2
InChI	InChI=1S/C28H48O2/c1-18(2)8-7-9-19(3)23-12-13-24-22-11-10-20-16-21(29)17-26(30-6)28(20,5)25(22)14-15-27(23,24)4/h18-20,22-26H,7-17H2,1-6H3/t19-,20-,22+,23-,24+,25+,26+,27-,28+/m1/s1/i16D2,17D/t17-,19+,20+,22-,23+,24-,25-,26-,27+,28-/m0
InChIKey	ZBCKSCITMSBHBC-YIMYYTFPSA-N
Molecular Weight	419.708 g/mol
SMILES	[C@@]12([C@@](C([D])([D])C([C@@]([C@@]2(OC)[H])([D])[H])=O)(CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])[H])C
SPLASH	splash10-0il0-3927200000-c928010620c6c601e504
Source of Spectrum	KC-1992-3109-20
Synonyms	(1S,2R,5R,8S,9S,10S,13R,14S,17R)-2,4,4-trideuterio-17-[(1R)-1,5-dimethylhexyl]-1-methoxy-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Wiley ID	777370