trichagmalin F
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http://purl.obolibrary.org/obo/CHEBI_68367
A limonoid with a phragmalin skeleton isolated from the leaves of Trichilia connaroides.
Term info
Label
trichagmalin F
Synonyms
- (1R,4R,5S,6R,6aR,8R,9S,9aS,9bS,11aR,12S)-1-(furan-3-yl)-5,6,6a-trihydroxy-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
Subsets
3_STAR
IUPAC NAME
(1R,4R,5S,6R,6aR,8R,9S,9aS,9bS,11aR,12S)-1-(furan-3-yl)-5,6,6a-trihydroxy-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
C36H46O13
has obo namespace
chebi_ontology
id
CHEBI:68367
inchi
InChI=1S/C36H46O13/c1-9-17(2)27(39)49-29-33(6)16-35(43)34(7,20(33)14-21(37)45-8)19-10-12-32(5)23(22(19)25(38)36(29,35)44)24(47-30(41)31(3,4)42)28(40)48-26(32)18-11-13-46-15-18/h9,11,13,15,19-20,24-26,29,38,42-44H,10,12,14,16H2,1-8H3/b17-9+/t19-,20-,24+,25-,26-,29-,32+,33+,34+,35+,36+/m0/s1
inchikey
YFSKKCIGWFMKLS-KNIMGQHWSA-N
mass
686.74260
monoisotopicmass
686.29384
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](O)[C@@]3(O)[C@H]2OC(=O)C(\C)=C\C)c1ccoc1