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20,21,22,23-tetrahydro-23-oxoazadirone

Go to external page http://purl.obolibrary.org/obo/CHEBI_67291

A limonoid that is 20,21,22,23-tetrahydroazadirone substituted by an additional oxo group at position 23. It has been isolated from Azadirachta indica.

Term info

Label

20,21,22,23-tetrahydro-23-oxoazadirone

Synonyms
  • (5alpha,7alpha,13alpha,17alpha,20S)-7-(acetyloxy)-4,4,8-trimethyl-3-oxocarda-1,14-dienolide
database cross reference
Subsets

3_STAR

IUPAC NAME
(5alpha,7alpha,13alpha,17alpha,20S)-7-(acetyloxy)-4,4,8-trimethyl-3-oxocarda-1,14-dienolide [ IUPAC ]

charge

0

formula

C28H38O5

has obo namespace

chebi_ontology

id

CHEBI:67291

inchi

InChI=1S/C28H38O5/c1-16(29)33-23-14-21-25(2,3)22(30)10-12-27(21,5)20-9-11-26(4)18(17-13-24(31)32-15-17)7-8-19(26)28(20,23)6/h8,10,12,17-18,20-21,23H,7,9,11,13-15H2,1-6H3/t17-,18+,20-,21+,23-,26+,27-,28+/m1/s1

inchikey

LXNMRBHGHQWYSQ-PLNCUQKMSA-N

mass

454.59830

monoisotopicmass

454.27192

smiles

CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC=C3[C@]12C)C1COC(=O)C1