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3-methyl-1,2-didehydro-2,3-dihydrosqualene

Go to external page http://purl.obolibrary.org/obo/CHEBI_70860

A triterpenoid obtained by methylation at position 3 of squalene with concomitant double bond migration from position 2 to position 1.

Term info

Label

3-methyl-1,2-didehydro-2,3-dihydrosqualene

Synonyms
  • (6E,10E,14E,18E)-2,3,6,10,15,19,23-heptamethyltetracosa-1,6,10,14,18,22-hexaene
  • 3-methyl-1,2-didehydro-2,3-dihydrosqualene
database cross reference
Subsets

3_STAR

IUPAC NAME
(6E,10E,14E,18E)-2,3,6,10,15,19,23-heptamethyltetracosa-1,6,10,14,18,22-hexaene [ IUPAC ]

charge

0

formula

C31H52

has obo namespace

chebi_ontology

id

CHEBI:70860

inchi

InChI=1S/C31H52/c1-25(2)15-12-18-29(7)21-13-19-27(5)16-10-11-17-28(6)20-14-22-30(8)23-24-31(9)26(3)4/h15-17,21-22,31H,3,10-14,18-20,23-24H2,1-2,4-9H3/b27-16+,28-17+,29-21+,30-22+

inchikey

ANCCRFGXJYBRIW-SKQHXPRYSA-N

mass

424.74460

monoisotopicmass

424.40690

smiles

CC(CC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C(C)=C

Term relations