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(1S,3aR,4R,6S,8aR)-4-[(tert-Butyldimethyl)siloxy]-1-[(2-methoxyethoxy)methoxy]-6-[1-cyano-5-(1,3-dioxolan-2-yl)-3-methylpentyl]-1,2,3,3a,4,5,6,8a-octahydroazulene
SpectraBase Compound ID Km4BVcE1cpI
InChI InChI=1S/C30H53NO6Si/c1-22(8-13-29-34-16-17-35-29)18-24(20-31)23-9-10-25-26(11-12-27(25)36-21-33-15-14-32-5)28(19-23)37-38(6,7)30(2,3)4/h9-10,22-29H,8,11-19,21H2,1-7H3/t22?,23-,24?,25-,26-,27+,28-/m1/s1
InChIKey NGKQMRLKAYXTNG-KYMLRPJJSA-N
Mol Weight 551.8 g/mol
Molecular Formula C30H53NO6Si
Exact Mass 551.364215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9XsIzq6slHa
Name (1S,3aR,4R,6S,8aR)-4-[(tert-Butyldimethyl)siloxy]-1-[(2-methoxyethoxy)methoxy]-6-[1-cyano-5-(1,3-dioxolan-2-yl)-3-methylpentyl]-1,2,3,3a,4,5,6,8a-octahydroazulene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H53NO6Si
InChI InChI=1S/C30H53NO6Si/c1-22(8-13-29-34-16-17-35-29)18-24(20-31)23-9-10-25-26(11-12-27(25)36-21-33-15-14-32-5)28(19-23)37-38(6,7)30(2,3)4/h9-10,22-29H,8,11-19,21H2,1-7H3/t22?,23-,24?,25-,26-,27+,28-/m1/s1
InChIKey NGKQMRLKAYXTNG-KYMLRPJJSA-N
Molecular Weight 551.840 g/mol
SMILES [C@]1([C@]2([C@@](C=C[C@](C1)(C(C#N)CC(CCC1OCCO1)C)[H])([C@@](OCOCCOC)(CC2)[H])[H])[H])(O[Si](C(C)(C)C)(C)C)[H]
SPLASH splash10-0006-0042900000-0ccb4c8571963177361a
Source of Spectrum KC-0-3455-0
Synonyms (3R,4S)-3-[(1S,3aR,4S,6S,8aR)-4-(tert-Butyl-dimethyl-silanyloxy)-1-(2-methoxy-ethoxymethoxy)-1,2,3,3a,4,5,6,8a-octahydro-azulen-6-yl]-1-diazo-6-[1,3]dioxolan-2-yl-4-methyl-hexan-2-one 2-{(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-methylhexanenitrile
Wiley ID 782736