(20R,22E,24R)-1.alpha.[(tert-Butyldimethylsilyl)oxy]-25-carbobutylsulfanyl-2-methylene-24-[triethylsilyl)oxy]-26,27-cyclo-22-dehydro-19-norvitamin D3 tert-butyldimethylsilyl ether

SpectraBase Compound ID	Lkh6mVMy3bV
InChI	InChI=1S/C50H90O4SSi3/c1-18-22-34-55-46(51)50(32-33-50)45(54-58(19-2,20-3)21-4)30-25-37(5)41-28-29-42-40(24-23-31-49(41,42)13)27-26-39-35-43(52-56(14,15)47(7,8)9)38(6)44(36-39)53-57(16,17)48(10,11)12/h25-27,30,37,41-45H,6,18-24,28-29,31-36H2,1-5,7-17H3/b30-25+,40-27+/t37-,41-,42+,43-,44-,45-,49-/m1/s1
InChIKey	INLHZVBEUPVBMQ-QNBKVZAFSA-N Google Search
Mol Weight	871.6 g/mol
Molecular Formula	C50H90O4SSi3
Exact Mass	870.586762 g/mol

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SpectraBase Spectrum ID	G6ks3lrq9yI
Name	(20R,22E,24R)-1.alpha.[(tert-Butyldimethylsilyl)oxy]-25-carbobutylsulfanyl-2-methylene-24-[triethylsilyl)oxy]-26,27-cyclo-22-dehydro-19-norvitamin D3 tert-butyldimethylsilyl ether
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C50H90O4SSi3
InChI	InChI=1S/C50H90O4SSi3/c1-18-22-34-55-46(51)50(32-33-50)45(54-58(19-2,20-3)21-4)30-25-37(5)41-28-29-42-40(24-23-31-49(41,42)13)27-26-39-35-43(52-56(14,15)47(7,8)9)38(6)44(36-39)53-57(16,17)48(10,11)12/h25-27,30,37,41-45H,6,18-24,28-29,31-36H2,1-5,7-17H3/b30-25+,40-27+/t37-,41-,42+,43-,44-,45-,49-/m1/s1
InChIKey	INLHZVBEUPVBMQ-QNBKVZAFSA-N
Ionization Type	EI
Molecular Weight	871.581 g/mol
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)(\C=C\[C@](C1(C(SCCCC)=O)CC1)(O[Si](CC)(CC)CC)[H])[H])[H])[H])C
SPLASH	splash10-01ba-9763100000-eae2b9caf13a4bd2f3ab
Source of Spectrum	EP2714656A2
Wiley ID	1849832