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1-Naphthalenol, 5-bromo-1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(1-methylethyl)-, acetate, [1R-(1.alpha.,2.beta.,4a.alpha.,5.alpha., 8a.alpha.)]-

View entire compound with spectra: 1 MS (GC)

1-Naphthalenol, 5-bromo-1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(1-methylethyl)-, acetate, [1R-(1.alpha.,2.beta.,4a.alpha.,5.alpha., 8a.alpha.)]-
SpectraBase Compound ID AvM8fSrxZef
InChI InChI=1S/C17H27BrO2/c1-10(2)13-8-9-17(5)14(18)7-6-11(3)15(17)16(13)20-12(4)19/h6,10,13-16H,7-9H2,1-5H3/t13-,14-,15+,16-,17+/m1/s1
InChIKey VMIMSNIRZNONQQ-UUAJXVIYSA-N
Mol Weight 343.31 g/mol
Molecular Formula C17H27BrO2
Exact Mass 342.119443 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IViDAmHLcdF
Name 1-Naphthalenol, 5-bromo-1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(1-methylethyl)-, acetate, [1R-(1.alpha.,2.beta.,4a.alpha.,5.alpha., 8a.alpha.)]-
Alternate Name(s) (1R,2R,4aR,5R,8aR)-5-bromo-2-isopropyl-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydro-1-naphthalenyl acetate 1-Bromo-4,10-dimethyl-6-acetoxy-7-isopropyl-1,2,5,6,7,8,9,10-octahydronaphthalene Lankalapuol A acetate
CAS Registry Number 117333-14-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H27BrO2
InChI InChI=1S/C17H27BrO2/c1-10(2)13-8-9-17(5)14(18)7-6-11(3)15(17)16(13)20-12(4)19/h6,10,13-16H,7-9H2,1-5H3/t13-,14-,15+,16-,17+/m1/s1
InChIKey VMIMSNIRZNONQQ-UUAJXVIYSA-N
Molecular Weight 343.305 g/mol
SMILES [C@]1([C@]2([C@@]([C@](Br)(CC=C2C)[H])(C)CC[C@@]1(C(C)C)[H])[H])(OC(=O)C)[H]
SPLASH splash10-052f-4390000000-101e6ebb91497a41d899
Source of Spectrum F-44-4699-3
Wiley ID 1336391