(3S)-4-[(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)silyl]oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]-3-ethylpentyl-4-Methylbenzenesulfonate

SpectraBase Compound ID	9yhmuNmi6mB
InChI	InChI=1S/C45H76O5SSi2/c1-16-36(27-29-48-51(46,47)38-23-19-32(2)20-24-38)33(3)39-25-26-40-37(18-17-28-45(39,40)11)22-21-35-30-41(49-52(12,13)43(5,6)7)34(4)42(31-35)50-53(14,15)44(8,9)10/h19-24,33,36,39-42H,4,16-18,25-31H2,1-3,5-15H3/b37-22+/t33-,36+,39-,40+,41-,42-,45-/m1/s1
InChIKey	QMYYJUKHAYUDGM-CIGABTQLSA-N Google Search
Mol Weight	785.3 g/mol
Molecular Formula	C45H76O5SSi2
Exact Mass	784.4952 g/mol

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SpectraBase Spectrum ID	Bz66H5QstL0
Name	(3S)-4-[(1R,3R,7E,17.beta.)-1,3-Bis{[tert-butyl(dimethyl)silyl]oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]-3-ethylpentyl-4-Methylbenzenesulfonate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C45H76O5SSi2
InChI	InChI=1S/C45H76O5SSi2/c1-16-36(27-29-48-51(46,47)38-23-19-32(2)20-24-38)33(3)39-25-26-40-37(18-17-28-45(39,40)11)22-21-35-30-41(49-52(12,13)43(5,6)7)34(4)42(31-35)50-53(14,15)44(8,9)10/h19-24,33,36,39-42H,4,16-18,25-31H2,1-3,5-15H3/b37-22+/t33-,36+,39-,40+,41-,42-,45-/m1/s1
InChIKey	QMYYJUKHAYUDGM-CIGABTQLSA-N
Instrument Name	a JEOL JMS D-300 and JEOL JMS-HX110A
Ionization Type	EI
Literature Reference DOI	10.1021/jm100649d
Molecular Weight	785.328 g/mol
Reported Formula	C45H76O5SSi2
SMILES	C1C[C@]2([C@](\C(C1)=C\C=C1C[C@](C([C@@](C1)(O[Si](C(C)(C)C)(C)C)[H])=C)(O[Si](C(C)(C)C)(C)C)[H])(CC[C@@]2([C@@]([C@](CCOS(c1ccc(cc1)C)(=O)=O)(CC)[H])(C)[H])[H])[H])C
SPLASH	splash10-00di-9113000000-e037b1b186aab942c186
Source of Spectrum	AF-53-5824-29
Wiley ID	1846218