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1-Naphthalenol, 5-bromodecahydro-4a-methyl-8-methylene-2-(1-methylethyl)-, acetate, [1S-(1.alpha.,2.beta.,4a.alpha.,5.alpha.,8a.alpha.)]-
SpectraBase Compound ID L9BISi6rz1E
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/h10,13-16H,3,6-9H2,1-2,4-5H3/t13-,14-,15+,16-,17+/m0/s1
InChIKey FNSXXSFRMPUBCY-ZOFXXKQRSA-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 5eMbgsHGTZH
Name 1-Naphthalenol, 5-bromodecahydro-4a-methyl-8-methylene-2-(1-methylethyl)-, acetate, [1S-(1.alpha.,2.beta.,4a.alpha.,5.alpha.,8a.alpha.)]-
Alternate Name(s) (1S,2S,4aS,5S,8aS)-5-bromo-2-isopropyl-4a-methyl-8-methylenedecahydro-1-naphthalenyl acetate 1-Acetoxy-5(Z)-bromo-4a-methyl-8-methylene-2(E)-cis-decaline Lankalapuol B acetate
CAS Registry Number 117407-08-6
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/h10,13-16H,3,6-9H2,1-2,4-5H3/t13-,14-,15+,16-,17+/m0/s1
InChIKey FNSXXSFRMPUBCY-ZOFXXKQRSA-N
Molecular Weight 343.305 g/mol
SMILES [C@@]1([C@@]2([C@]([C@@](Br)(CCC2=C)[H])(C)CC[C@]1(C(C)C)[H])[H])(OC(=O)C)[H]
SPLASH splash10-000x-4190000000-e44f9e22e352bf4398ef
Source of Spectrum F-44-4700-4
Wiley ID 1336392