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(1S,3aR,4R,6S,8aR)-4-[(tert-Butyldimethyl)siloxy]-1-[(2-methoxyethoxy)methoxy]-6-[6-(1,3-dioxolan-2-yl)-5-formyl-(3R,4S)-4-methylbpentan-3-yl]-1,2,3,3a,4,5,6,8a-octahydroazulene
SpectraBase Compound ID eOlxWWMmg2
InChI InChI=1S/C30H54O7Si/c1-22(8-13-29-34-18-19-35-29)24(14-15-31)23-9-10-25-26(11-12-27(25)36-21-33-17-16-32-5)28(20-23)37-38(6,7)30(2,3)4/h9-10,15,22-29H,8,11-14,16-21H2,1-7H3/t22-,23+,24+,25+,26+,27-,28+/m0/s1
InChIKey QQOAKWPOZIBIKL-UALNRWAWSA-N
Mol Weight 554.8 g/mol
Molecular Formula C30H54O7Si
Exact Mass 554.363881 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 61rGG3dsY5v
Name (1S,3aR,4R,6S,8aR)-4-[(tert-Butyldimethyl)siloxy]-1-[(2-methoxyethoxy)methoxy]-6-[6-(1,3-dioxolan-2-yl)-5-formyl-(3R,4S)-4-methylbpentan-3-yl]-1,2,3,3a,4,5,6,8a-octahydroazulene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H54O7Si
InChI InChI=1S/C30H54O7Si/c1-22(8-13-29-34-18-19-35-29)24(14-15-31)23-9-10-25-26(11-12-27(25)36-21-33-17-16-32-5)28(20-23)37-38(6,7)30(2,3)4/h9-10,15,22-29H,8,11-14,16-21H2,1-7H3/t22-,23+,24+,25+,26+,27-,28+/m0/s1
InChIKey QQOAKWPOZIBIKL-UALNRWAWSA-N
Molecular Weight 554.840 g/mol
SMILES [C@]1([C@]2([C@@](C=C[C@](C1)([C@@]([C@](CCC1OCCO1)(C)[H])(CC=O)[H])[H])([C@@](OCOCCOC)(CC2)[H])[H])[H])(O[Si](C(C)(C)C)(C)C)[H]
SPLASH splash10-000t-0600900000-ab34d88f332c17b412fe
Source of Spectrum KC-0-3456-15
Synonyms 3-{(1S,3aR,4R,6S,8aR)-4-{[tert-butyl(dimethyl)silyl]oxy}-1-[(2-methoxyethoxy)methoxy]-1,2,3,3a,4,5,6,8a-octahydro-6-azulenyl}-6-(1,3-dioxolan-2-yl)-4-methylhexanal
Wiley ID 782735