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1,3-Benzodioxole-4-butanoic acid, hexahydro-2,2,3a,7-tetramethyl-.beta.-oxo-5-(2-propenyl)-, 2-(trimethylsilyl)ethyl ester, [3aS-(3a.alpha.,4.alpha.,5.beta.,7.beta.,7a.alpha.)]-
SpectraBase Compound ID 3PWIhwiXbf6
InChI InChI=1S/C23H40O5Si/c1-9-10-17-13-16(2)21-23(5,28-22(3,4)27-21)19(17)14-18(24)15-20(25)26-11-12-29(6,7)8/h9,16-17,19,21H,1,10-15H2,2-8H3/t16-,17+,19-,21-,23+/m1/s1
InChIKey UDNYOBARQJSOLV-XMZHFAPRSA-N
Mol Weight 424.7 g/mol
Molecular Formula C23H40O5Si
Exact Mass 424.264501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B9twfEqRNZH
Name 1,3-Benzodioxole-4-butanoic acid, hexahydro-2,2,3a,7-tetramethyl-.beta.-oxo-5-(2-propenyl)-, 2-(trimethylsilyl)ethyl ester, [3aS-(3a.alpha.,4.alpha.,5.beta.,7.beta.,7a.alpha.)]-
CAS Registry Number 82769-97-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H40O5Si
InChI InChI=1S/C23H40O5Si/c1-9-10-17-13-16(2)21-23(5,28-22(3,4)27-21)19(17)14-18(24)15-20(25)26-11-12-29(6,7)8/h9,16-17,19,21H,1,10-15H2,2-8H3/t16-,17+,19-,21-,23+/m1/s1
InChIKey UDNYOBARQJSOLV-XMZHFAPRSA-N
Molecular Weight 424.653 g/mol
SMILES [C@]12([C@](OC(O2)(C)C)([C@](C)(C[C@@]([C@]1(CC(CC(=O)OCC[Si](C)(C)C)=O)[H])(CC=C)[H])[H])[H])C
SPLASH splash10-006x-6000900000-9105e209df7b522581a5
Source of Spectrum C-104-5737-0
Synonyms (1R,2S,3R,4S,6R)-2,6-dimethyl-4-(2-propenyl)-3-(3-((2-(trimethylsilyl)ethoxy)carbonyl)-2-oxopropyl)cyclohexane-1,2-diol 1,2-acetonide 2-(trimethylsilyl)ethyl 4-[(3aS,4R,5S,7R,7aR)-5-allyl-2,2,3a,7-tetramethylhexahydro-1,3-benzodioxol-4-yl]-3-oxobutanoate
Wiley ID 1379301