7.alpha.-{9-[(4,4,5,5,5-Pentafluoropentyl)thio]nonyl}-3-O-methoxymethylestra-1,3,5(10)-triene-3,16.beta.,17.beta.-triol

SpectraBase Compound ID	7qkF3OcjSPZ
InChI	InChI=1S/C34H51F5O4S/c1-32-16-14-27-26-13-12-25(43-22-42-2)20-24(26)19-23(30(27)28(32)21-29(40)31(32)41)11-8-6-4-3-5-7-9-17-44-18-10-15-33(35,36)34(37,38)39/h12-13,20,23,27-31,40-41H,3-11,14-19,21-22H2,1-2H3/t23-,27-,28+,29+,30-,31+,32+/m1/s1
InChIKey	JELXWIMAROCBLT-NVSWFHSOSA-N Google Search
Mol Weight	650.8 g/mol
Molecular Formula	C34H51F5O4S
Exact Mass	650.342822 g/mol

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SpectraBase Spectrum ID	DTEZNXRfQSx
Name	7.alpha.-{9-[(4,4,5,5,5-Pentafluoropentyl)thio]nonyl}-3-O-methoxymethylestra-1,3,5(10)-triene-3,16.beta.,17.beta.-triol
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C34H51F5O4S
InChI	InChI=1S/C34H51F5O4S/c1-32-16-14-27-26-13-12-25(43-22-42-2)20-24(26)19-23(30(27)28(32)21-29(40)31(32)41)11-8-6-4-3-5-7-9-17-44-18-10-15-33(35,36)34(37,38)39/h12-13,20,23,27-31,40-41H,3-11,14-19,21-22H2,1-2H3/t23-,27-,28+,29+,30-,31+,32+/m1/s1
InChIKey	JELXWIMAROCBLT-NVSWFHSOSA-N
Molecular Weight	650.830 g/mol
SMILES	O[C@]1([C@](C[C@@]2([C@@]1(CC[C@@]1(c3c(C[C@]([C@@]21[H])(CCCCCCCCCSCCCC(C(F)(F)F)(F)F)[H])cc(cc3)OCOC)[H])C)[H])(O)[H])[H]
SPLASH	splash10-0pi0-0000419000-a17c5a51a33042e8274b
Source of Spectrum	K-2002-2278-14
Synonyms	(7alpha,16beta,17beta)-3-(methoxymethoxy)-7-{9-[(4,4,5,5,5-pentafluoropentyl)sulfanyl]nonyl}estra-1,3,5(10)-triene-16,17-diol (7R,8R,9S,13S,14S,16S,17R)-3-(methoxymethoxy)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol (7R,8R,9S,13S,14S,16S,17R)-3-(methoxymethoxy)-13-methyl-7-[9-[4,4,5,5,5-pentakis(fluoranyl)pentylsulfanyl]nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol
Wiley ID	1613181