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CAS Number: 153559-45-6
methyl 4-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalene-2-carbonyl)benzoate

Structure

 methyl 4-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalene-2-carbonyl)benzoate
Name: methyl 4-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalene-2-carbonyl)benzoate
Synonyms:
General Information
Product Number: 153559456

CAS Registry Number 153559-45-6
Name:
Benzoic acid, 4-?[(5,?6,?7,?8-?tetrahydro-?3,?5,?5,?8,?8-?pentamethyl-?2-?naphthalenyl)?carbonyl]?-?, methyl ester
Methyl 4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]benzoate
Methyl 4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthyl)carbonyl]benzoate

 

Chemical Formula: C24H28O3
Exact Mass: 364.20
Molecular Weight: 364.48
m/z: 364.20 (100.0%), 365.21 (26.4%), 366.21 (4.0%)

 

InChI:InChI=1S/C24H28O3/c1-15-13-19-20(24(4,5)12-11-23(19,2)3)14-18(15)21(25)16-7-9-17(10-8-16)22(26)27-6/h7-10,13-14H,11-12H2,1-6H3

InChI Key:DYVLPJYIGJZAKF-UHFFFAOYSA-N

Canonical SMILES:CC1=CC2=C(C=C1C(=O)C3=CC=C(C=C3)C(=O)OC)C(CCC2(C)C)(C)C

 

Thermal Properties Value Condition Note
Melting Point 143-144 °C Solv: ethyl acetate (141-78-6); methanol (67-56-1) (1)CAS

Specification

98%
References
  1. (1) Wagner, Carl E.; Journal of Medicinal Chemistry 2009, V52(19), P5950-5966 CAPLUS
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