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Tricyclo[3.3.1.13,7]decane-1-propanoic acid, 1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl ester, (1S-exo)-
SpectraBase Compound ID 6MKTW1N15bL
InChI InChI=1S/C35H57NO4S/c1-33(2)28-13-16-35(33,24-41(38,39)36(29-9-5-3-6-10-29)30-11-7-4-8-12-30)31(20-28)40-32(37)14-15-34-21-25-17-26(22-34)19-27(18-25)23-34/h25-31H,3-24H2,1-2H3/t25-,26+,27?,28?,31?,34+,35-/m1/s1
InChIKey QVYXCIICOQVQQA-GQFAFHDDSA-N
Mol Weight 587.9 g/mol
Molecular Formula C35H57NO4S
Exact Mass 587.40083 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HrKMkp52JTQ
Name Tricyclo[3.3.1.13,7]decane-1-propanoic acid, 1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl ester, (1S-exo)-
CAS Registry Number 110508-13-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H57NO4S
InChI InChI=1S/C35H57NO4S/c1-33(2)28-13-16-35(33,24-41(38,39)36(29-9-5-3-6-10-29)30-11-7-4-8-12-30)31(20-28)40-32(37)14-15-34-21-25-17-26(22-34)19-27(18-25)23-34/h25-31H,3-24H2,1-2H3/t25-,26+,27?,28?,31?,34+,35-/m1/s1
InChIKey QVYXCIICOQVQQA-GQFAFHDDSA-N
Molecular Weight 587.904 g/mol
SMILES C(S(N(C1CCCCC1)C1CCCCC1)(=O)=O)[C@@]12C(C(CC2)CC1OC(=O)CC[C@]12C[C@]3(C[C@@](C2)(CC(C1)C3)[H])[H])(C)C
SPLASH splash10-000f-3920000000-2bb3e4617083107ee458
Source of Spectrum F-44-5551-7
Synonyms (1S)-1-{[(dicyclohexylamino)sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]hept-2-yl 3-(1-adamantyl)propanoate [(1S,2R)-10-(N,N-dicyclohexylaminosulfonyl)bron-2-yl]3-(1-adamantyl)propionate
Wiley ID 1409122