(3S)-3-{1-[(1R,3R,7E,17.beta.)-1,3-bis{[tert-Butyl(dimethyl)silyl]- oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]ethyl}heptyl-4-methylbenzenesulfonate

SpectraBase Compound ID	Eycp6HDFOw4
InChI	InChI=1S/C47H80O5SSi2/c1-16-17-19-38(29-31-50-53(48,49)40-25-21-34(2)22-26-40)35(3)41-27-28-42-39(20-18-30-47(41,42)11)24-23-37-32-43(51-54(12,13)45(5,6)7)36(4)44(33-37)52-55(14,15)46(8,9)10/h21-26,35,38,41-44H,4,16-20,27-33H2,1-3,5-15H3/b39-24+/t35-,38+,41-,42+,43-,44-,47-/m1/s1
InChIKey	WGHBLYIAGVTMAM-SWBFISSKSA-N Google Search
Mol Weight	813.4 g/mol
Molecular Formula	C47H80O5SSi2
Exact Mass	812.5265 g/mol

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SpectraBase Spectrum ID	3uvO5ns1sIx
Name	(3S)-3-{1-[(1R,3R,7E,17.beta.)-1,3-bis{[tert-Butyl(dimethyl)silyl]- oxy}-2-methylidene-9,10-secoestra-5,7-dien-17-yl]ethyl}heptyl-4-methylbenzenesulfonate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C47H80O5SSi2
InChI	InChI=1S/C47H80O5SSi2/c1-16-17-19-38(29-31-50-53(48,49)40-25-21-34(2)22-26-40)35(3)41-27-28-42-39(20-18-30-47(41,42)11)24-23-37-32-43(51-54(12,13)45(5,6)7)36(4)44(33-37)52-55(14,15)46(8,9)10/h21-26,35,38,41-44H,4,16-20,27-33H2,1-3,5-15H3/b39-24+/t35-,38+,41-,42+,43-,44-,47-/m1/s1
InChIKey	WGHBLYIAGVTMAM-SWBFISSKSA-N
Instrument Name	a JEOL JMS D-300 and JEOL JMS-HX110A
Ionization Type	EI
Literature Reference DOI	10.1021/jm100649d
Molecular Weight	813.382 g/mol
Reported Formula	C47H80O5Si2
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)(CCCC)[H])(C)[H])[H])[H])C
SPLASH	splash10-00di-9013000000-733b7bfd5670dbbe3ecc
Source of Spectrum	AF-53-5823-28
Wiley ID	1846217