Products 81373-87-7

CAS 81373-87-7 appears in our catalog under these names: Quadrangolin A, Quadrangolin A, >=95% (LC/MS-ELSD). Offered by: Biosynth, Sigma-Aldrich. Available pack sizes: 5mg, 1mg, 10mg, 50mg, 25mg.

Quadrangolin A
Biosynth
  • size: 5mg, 1mg, 10mg, 50mg
  • Variants: 5
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Quadrangolin A, >=95% (LC/MS-ELSD)
Sigma-Aldrich
  • size: 1MG
  • Variants: 1
from 2283.00
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Structural formula: {0} (CAS {1})

Methyl 2-[(1S,2S,4aR,8aS)-1-hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoate (CAS 81373-87-7) is a chemical compound with the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. IUPAC name: methyl 2-[(1S,2S,4aR,8aS)-1-hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoate. InChIKey: QKJPFZYODFIADE-KNCOVGOOSA-N.

Identity
Molecular formulaC16H24O3
Molecular weight264.36 g/mol
IUPAC namemethyl 2-[(1S,2S,4aR,8aS)-1-hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoate
InChIKeyQKJPFZYODFIADE-KNCOVGOOSA-N
SMILESC[C@]12CCCC(=C)[C@@H]1[C@H]([C@@H](CC2)C(=C)C(=O)OC)O

Computed by PubChem (NCBI)

Synonyms: Quadrangolin A, >=95% (LC/MS-ELSD)
Isomers (same molecular formula)
methyl 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate C16H24O3
2-(2,4-ditert-butylphenoxy)acetic acid C16H24O3
nonyl 4-hydroxybenzoate C16H24O3
methyl 4-octoxybenzoate C16H24O3
2-hydroxypropyl 2-[4-(2-methylpropyl)phenyl]propanoate C16H24O3
ethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate C16H24O3
methyl 3,5-ditert-butyl-4-hydroxybenzoate C16H24O3
4-nonoxybenzoic acid C16H24O3
2-(3,5-ditert-butyl-4-hydroxyphenyl)acetic acid C16H24O3
butyl 2-(4-butoxyphenyl)acetate C16H24O3
(2,6-ditert-butyl-4-hydroxyphenyl) acetate C16H24O3
2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetic acid C16H24O3