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30-acetyltrichagmalin F

Go to external page http://purl.obolibrary.org/obo/CHEBI_68368

A limonoid that is the 30-acetyl derivative of trichagmalin F. It has been isolated from Trichilia connaroides.

Term info

Label

30-acetyltrichagmalin F

Synonyms
  • (1R,4R,5S,6S,6aR,8S,9S,9aS,9bS,11aR,12S)-5-(acetyloxy)-1-(furan-3-yl)-6,6a-dihydroxy-4-[(2-hydroxy-2-methylpropanoyl)oxy]-9-(2-methoxy-2-oxoethyl)-8,9a,11a-trimethyl-3-oxo-1,3,4,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-6,8-methanoindeno[5,4-f]isochromen-12-yl (2E)-2-methylbut-2-enoate
database cross reference
Subsets

3_STAR

IUPAC NAME
(1R,4R,5S,6S,6aR,8S,9S,9aS,9bS,11aR,12S)-5-(acetyloxy)-1-(furan-3-yl)-6,6a-dihydroxy-4-[(2-hydroxy-2-methylpropanoyl)oxy]-9-(2-methoxy-2-oxoethyl)-8,9a,11a-trimethyl-3-oxo-1,3,4,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-6,8-methanoindeno[5,4-f]isochromen-12-yl (2E)-2-methylbut-2-enoate [ IUPAC ]

charge

0

formula

C38H48O14

has obo namespace

chebi_ontology

id

CHEBI:68368

inchi

InChI=1S/C38H48O14/c1-10-18(2)29(41)52-31-35(7)17-37(45)36(8,22(35)15-23(40)47-9)21-11-13-34(6)25(24(21)28(38(31,37)46)49-19(3)39)26(50-32(43)33(4,5)44)30(42)51-27(34)20-12-14-48-16-20/h10,12,14,16,21-22,26-28,31,44-46H,11,13,15,17H2,1-9H3/b18-10+/t21-,22-,26+,27-,28-,31-,34+,35-,36+,37+,38+/m0/s1

inchikey

OVGFFHVYDYWTAL-GEQCYYDASA-N

mass

728.77930

monoisotopicmass

728.30441

smiles

COC(=O)C[C@H]1[C@]2(C)C[C@@]3(O)[C@]1(C)[C@H]1CC[C@@]4(C)[C@@H](OC(=O)[C@H](OC(=O)C(C)(C)O)C4=C1[C@H](OC(C)=O)[C@@]3(O)[C@H]2OC(=O)C(\C)=C\C)c1ccoc1