(1S,2S,5R,8S,9S,10S,13R,14S,17R)-2-bromanyl-1,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

SpectraBase Compound ID	63W7vhCscqI
InChI	InChI=1S/C28H47BrO/c1-17(2)8-7-9-18(3)22-12-13-23-21-11-10-20-16-25(30)26(29)19(4)28(20,6)24(21)14-15-27(22,23)5/h17-24,26H,7-16H2,1-6H3/t18-,19-,20-,21+,22-,23+,24+,26+,27-,28+/m1/s1
InChIKey	AFLIHUHIYPVEGU-NVJXULBASA-N Google Search
Mol Weight	479.6 g/mol
Molecular Formula	C28H47BrO
Exact Mass	478.281029 g/mol

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SpectraBase Spectrum ID	CmIo7zYVUZ0
Name	(1S,2S,5R,8S,9S,10S,13R,14S,17R)-2-bromanyl-1,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H47BrO
InChI	InChI=1S/C28H47BrO/c1-17(2)8-7-9-18(3)22-12-13-23-21-11-10-20-16-25(30)26(29)19(4)28(20,6)24(21)14-15-27(22,23)5/h17-24,26H,7-16H2,1-6H3/t18-,19-,20-,21+,22-,23+,24+,26+,27-,28+/m1/s1
InChIKey	AFLIHUHIYPVEGU-NVJXULBASA-N
Molecular Weight	479.587 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(CC(=O)[C@]([C@]1(C)[H])(Br)[H])[H])[H])C
SPLASH	splash10-0002-4309000000-8719bdcc91653e880321
Source of Spectrum	KC-1992-3108-13
Synonyms	(1S,2S,5R,8S,9S,10S,13R,14S,17R)-2-bromo-1,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one (1S,2S,5R,8S,9S,10S,13R,14S,17R)-2-bromo-17-[(1R)-1,5-dimethylhexyl]-1,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Wiley ID	777378