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7-deacetylgedunin

Go to external page http://purl.obolibrary.org/obo/CHEBI_67296

A limonoid that is the 7-deacetyl derivative of gedunin. It has been isolated from Azadirachta indica.

Term info

Label

7-deacetylgedunin

Synonyms
  • (4aR,6R,6aS,6bR,7aS,10R,10aS,12aR,12bR)-10-(furan-3-yl)-6-hydroxy-4,4,6a,10a,12b-pentamethyl-4a,5,6,6a,10,10a,11,12,12a,12b-decahydronaphtho[2,1-f]oxireno[d]isochromene-3,8(4H,7aH)-dione
database cross reference
Subsets

3_STAR

IUPAC NAME
(4aR,6R,6aS,6bR,7aS,10R,10aS,12aR,12bR)-10-(furan-3-yl)-6-hydroxy-4,4,6a,10a,12b-pentamethyl-4a,5,6,6a,10,10a,11,12,12a,12b-decahydronaphtho[2,1-f]oxireno[d]isochromene-3,8(4H,7aH)-dione [ IUPAC ]

charge

0

formula

C26H32O6

has obo namespace

chebi_ontology

has related synonym

(5alpha,7alpha,13alpha,14beta,15beta,17aalpha)-14,15:21,23-diepoxy-7-hydroxy-4,4,8-trimethyl-D-homo-24-nor-17-oxachlola-1,20-,22-triene-3,16-dione, 7-deacetoxy-7alpha-hydroxygedunin, deacetylgedunin

id

CHEBI:67296

inchi

InChI=1S/C26H32O6/c1-22(2)16-12-18(28)25(5)15(23(16,3)9-7-17(22)27)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)32-20/h7-9,11,13,15-16,18-20,28H,6,10,12H2,1-5H3/t15-,16+,18-,19+,20-,23-,24+,25+,26-/m1/s1

inchikey

HCEYJYMNIQHPPK-DXTZDJJUSA-N

mass

440.52870

monoisotopicmass

440.21989

smiles

CC1(C)[C@@H]2C[C@@H](O)[C@]3(C)[C@H](CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)c3ccoc3)[C@@]2(C)C=CC1=O