(3R,5R,8S,9S,10R,13S,14S,17R)-17-[(1S,2R)-3,3-difluoro-2-(methoxymethoxy)-1,4-dimethyl-pentyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one

SpectraBase Compound ID	BVTN7Rv3COI
InChI	InChI=1S/C28H46F2O4/c1-16(2)28(29,30)25(34-15-33-6)17(3)20-7-8-21-19-14-24(32)23-13-18(31)9-11-27(23,5)22(19)10-12-26(20,21)4/h16-23,25,31H,7-15H2,1-6H3/t17-,18+,19-,20+,21-,22-,23-,25+,26+,27+/m0/s1
InChIKey	UXQMJHNJESNKMT-FWBDRKSBSA-N Google Search
Mol Weight	484.7 g/mol
Molecular Formula	C28H46F2O4
Exact Mass	484.336416 g/mol

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SpectraBase Spectrum ID	4ajNvyp6Yto
Name	(3R,5R,8S,9S,10R,13S,14S,17R)-17-[(1S,2R)-3,3-difluoro-2-(methoxymethoxy)-1,4-dimethyl-pentyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H46F2O4
InChI	InChI=1S/C28H46F2O4/c1-16(2)28(29,30)25(34-15-33-6)17(3)20-7-8-21-19-14-24(32)23-13-18(31)9-11-27(23,5)22(19)10-12-26(20,21)4/h16-23,25,31H,7-15H2,1-6H3/t17-,18+,19-,20+,21-,22-,23-,25+,26+,27+/m0/s1
InChIKey	UXQMJHNJESNKMT-FWBDRKSBSA-N
Molecular Weight	484.669 g/mol
SMILES	O[C@@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC(=O)[C@@]2(C1)[H])[H])(CC[C@@]4([C@@]([C@](C(F)(F)C(C)C)(OCOC)[H])(C)[H])[H])[H])C)[H])C)[H]
SPLASH	splash10-0002-9004000000-c68097468e78b586aa6f
Source of Spectrum	KC-1993-798-10
Synonyms	(3R,5R,8S,9S,10R,13S,14S,17R)-17-[(2S,3R)-4,4-bis(fluoranyl)-3-(methoxymethoxy)-5-methyl-hexan-2-yl]-10,13-dimethyl-3-oxidanyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one (3R,5R,8S,9S,10R,13S,14S,17R)-17-[(2S,3R)-4,4-difluoro-3-(methoxymethoxy)-5-methylhexan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
Wiley ID	779395