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(S,S)-trans-1-isopropyl-2,3,3,5-tetramethyl-6-succinylindane

Go to external page http://purl.obolibrary.org/obo/CHEBI_46099

A 4-oxo monocarboxylic acid that is a synthetic musk fragrance and hydrophobic hapten with an indane core.

Term info

Label

(S,S)-trans-1-isopropyl-2,3,3,5-tetramethyl-6-succinylindane

Synonyms
  • 4-oxo-4-[(2S,3S)-1,1,2,6-tetramethyl-3-(propan-2-yl)-2,3-dihydro-1H-inden-5-yl]butanoic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
4-oxo-4-[(2S,3S)-1,1,2,6-tetramethyl-3-(propan-2-yl)-2,3-dihydro-1H-inden-5-yl]butanoic acid [ IUPAC ]

charge

0

formula

C20H28O3

has obo namespace

chebi_ontology

has related synonym

TRAZEOLIDE, 4-oxo-4-[(2S,3S)-1,1,2,6-tetramethyl-3-(propan-2-yl)-2,3-dihydro-1H-inden-5-yl]butanoic acid, 4-oxo-4-[(2S,3S)-1,1,2,6-tetramethyl-3-propan-2-yl-2,3-dihydroinden-5-yl]butanoic acid, 5-(3-carboxy-1-oxo-1-propyl)-1,1,2,6-tetramethyl-3-isopropylindane

id

CHEBI:46099

inchi

InChI=1S/C20H28O3/c1-11(2)19-13(4)20(5,6)16-9-12(3)14(10-15(16)19)17(21)7-8-18(22)23/h9-11,13,19H,7-8H2,1-6H3,(H,22,23)/t13-,19-/m0/s1

inchikey

YUTXECPABXNXPU-DJJJIMSYSA-N

mass

316.43450

monoisotopicmass

316.20384

smiles

CC(C)[C@H]1[C@H](C)C(C)(C)c2cc(C)c(cc12)C(=O)CCC(O)=O