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

SpectraBase Compound ID	KS10eclVLTx
InChI	InChI=1S/C27H43BrO/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(28)24(29)14-16-27(23,5)22(19)13-15-26(20,21)4/h14,16-23,25H,6-13,15H2,1-5H3/t18-,19+,20-,21+,22+,23-,25-,26-,27-/m1/s1
InChIKey	CJUWSVXJLBPILS-BAWZUTTFSA-N Google Search
Mol Weight	463.5 g/mol
Molecular Formula	C27H43BrO
Exact Mass	462.249729 g/mol

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SpectraBase Spectrum ID	CxzJhFUxWiE
Name	(4R,5S,8S,9S,10R,13R,14S,17R)-4-bromanyl-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H43BrO
InChI	InChI=1S/C27H43BrO/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(28)24(29)14-16-27(23,5)22(19)13-15-26(20,21)4/h14,16-23,25H,6-13,15H2,1-5H3/t18-,19+,20-,21+,22+,23-,25-,26-,27-/m1/s1
InChIKey	CJUWSVXJLBPILS-BAWZUTTFSA-N
Molecular Weight	463.544 g/mol
SMILES	[C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@@]2([C@@](Br)(C(C=C1)=O)[H])[H])[H])C
SPLASH	splash10-00di-0903100000-fde49be8ad29de786ab8
Source of Spectrum	KC-1992-3107-0
Synonyms	(4R,5S,8S,9S,10R,13R,14S,17R)-4-bromo-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one (4R,5S,8S,9S,10R,13R,14S,17R)-4-bromo-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Wiley ID	777382