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(1S,6S)-(1R,2S,5R)-2-(2-(6-methoxy-naphtalen-2-yl)propanyl)-5-methyl-cyclohexyl-7,7-dimethyl-5-oxobicyclo[4.2.0]octane-1-carboxylate

View entire compound with spectra: 1 MS (GC)

(1S,6S)-(1R,2S,5R)-2-(2-(6-methoxy-naphtalen-2-yl)propanyl)-5-methyl-cyclohexyl-7,7-dimethyl-5-oxobicyclo[4.2.0]octane-1-carboxylate
SpectraBase Compound ID AIh42zHLB2M
InChI InChI=1S/C32H42O4/c1-20-8-9-25(16-21(2)22-10-11-24-18-26(35-5)13-12-23(24)17-22)28(15-20)36-30(34)32-14-6-7-27(33)29(32)31(3,4)19-32/h10-13,17-18,20-21,25,28-29H,6-9,14-16,19H2,1-5H3/t20-,21?,25+,28-,29+,32+/m1/s1
InChIKey CXFSXCHRDJBAJW-QZWCOZFWSA-N
Mol Weight 490.7 g/mol
Molecular Formula C32H42O4
Exact Mass 490.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IAg3FZSxmqu
Name (1S,6S)-(1R,2S,5R)-2-(2-(6-methoxy-naphtalen-2-yl)propanyl)-5-methyl-cyclohexyl-7,7-dimethyl-5-oxobicyclo[4.2.0]octane-1-carboxylate
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Formula C32H42O4
InChI InChI=1S/C32H42O4/c1-20-8-9-25(16-21(2)22-10-11-24-18-26(35-5)13-12-23(24)17-22)28(15-20)36-30(34)32-14-6-7-27(33)29(32)31(3,4)19-32/h10-13,17-18,20-21,25,28-29H,6-9,14-16,19H2,1-5H3/t20-,21?,25+,28-,29+,32+/m1/s1
InChIKey CXFSXCHRDJBAJW-QZWCOZFWSA-N
Molecular Weight 490.684 g/mol
SMILES [C@]12(C(O[C@]3([C@](CC(c4cc5ccc(cc5cc4)OC)C)(CC[C@](C3)(C)[H])[H])[H])=O)[C@](C(=O)CCC2)([H])C(C1)(C)C
SPLASH splash10-0002-0900000000-39b63958d269879bc09b
Source of Spectrum F-69-789-2be
Synonyms (1S,6S)-(1R,2S,5R)-2-(2-(6-methoxynaphtalen-2-yl)propanyl)-5methylcyclohexyl7,7-dimethyl-5-oxobicyclo[4.2.0]octane-1-carboxylate (1S,6S)-(1R,2S,5R)-2-(2-(6-methoxynaphthalen-2-yl)propyl)-5-methylcyclohexyl 7,7-dimethyl-5-oxobicyclo[4.2.0]octane-1-carboxylate
Wiley ID 1737463