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Methyl 7-{1-[(1R,2R,4aR,6R,8S,8aS)-6-[(tert-butydiphenylsilyl)oxy]-8-[(2S)-methyl-1-oxobutyl)oxy]-1,2,4a,5,6,7,8,8a-octahydro-2-methylnaphthalenyl]}-3(R)-[(tert-butyldimethylsilyl)oxy]-5-oxohepten-6-oate
SpectraBase Compound ID 4LFxrAfmx4
InChI InChI=1S/C46H68O7Si2/c1-13-32(2)44(49)51-41-30-36(53-55(46(7,8)9,38-20-16-14-17-21-38)39-22-18-15-19-23-39)28-34-25-24-33(3)40(43(34)41)27-26-35(47)29-37(31-42(48)50-10)52-54(11,12)45(4,5)6/h14-27,32-34,36-37,40-41,43H,13,28-31H2,1-12H3/b27-26+/t32-,33+,34-,36+,37+,40+,41-,43-/m0/s1
InChIKey XXEZVWQYPKJMHM-XMDSMBQNSA-N
Mol Weight 789.2 g/mol
Molecular Formula C46H68O7Si2
Exact Mass 788.450358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LZEcgVz0Uk8
Name Methyl 7-{1-[(1R,2R,4aR,6R,8S,8aS)-6-[(tert-butydiphenylsilyl)oxy]-8-[(2S)-methyl-1-oxobutyl)oxy]-1,2,4a,5,6,7,8,8a-octahydro-2-methylnaphthalenyl]}-3(R)-[(tert-butyldimethylsilyl)oxy]-5-oxohepten-6-oate
CAS Registry Number 138505-87-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H68O7Si2
InChI InChI=1S/C46H68O7Si2/c1-13-32(2)44(49)51-41-30-36(53-55(46(7,8)9,38-20-16-14-17-21-38)39-22-18-15-19-23-39)28-34-25-24-33(3)40(43(34)41)27-26-35(47)29-37(31-42(48)50-10)52-54(11,12)45(4,5)6/h14-27,32-34,36-37,40-41,43H,13,28-31H2,1-12H3/b27-26+/t32-,33+,34-,36+,37+,40+,41-,43-/m0/s1
InChIKey XXEZVWQYPKJMHM-XMDSMBQNSA-N
Molecular Weight 789.213 g/mol
SMILES [C@@]1(O[Si](C(C)(C)C)(c2ccccc2)c2ccccc2)(C[C@](OC(=O)[C@](CC)(C)[H])([C@]2([C@](C1)(C=C[C@]([C@]2(\C=C\C(C[C@](CC(=O)OC)(O[Si](C(C)(C)C)(C)C)[H])=O)[H])(C)[H])[H])[H])[H])[H]
SPLASH splash10-000t-0930200300-57dd0f34f4afbf8c3e70
Source of Spectrum E1-35-3392-26
Wiley ID 1574531