1,30-diacetyltrichagmalin F
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http://purl.obolibrary.org/obo/CHEBI_68369
A limonoid that is the 1,30-diacetyl derivative of trichagmalin F. It has been isolated from Trichilia connaroides.
Term info
Label
1,30-diacetyltrichagmalin F
Synonyms
- (1R,4R,5S,6S,6aR,8S,9S,9aS,9bS,11aR,12S)-5,6a-bis(acetyloxy)-1-(furan-3-yl)-6-hydroxy-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,6S,6aR,8S,9S,9aS,9bS,11aR,12S)-5,6a-bis(acetyloxy)-1-(furan-3-yl)-6-hydroxy-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
C40H50O15
has obo namespace
chebi_ontology
id
CHEBI:68369
inchi
InChI=1S/C40H50O15/c1-11-19(2)31(44)54-33-37(8)18-39(55-21(4)42)38(9,24(37)16-25(43)49-10)23-12-14-36(7)27(26(23)30(40(33,39)48)51-20(3)41)28(52-34(46)35(5,6)47)32(45)53-29(36)22-13-15-50-17-22/h11,13,15,17,23-24,28-30,33,47-48H,12,14,16,18H2,1-10H3/b19-11+/t23-,24-,28+,29-,30-,33-,36+,37-,38+,39+,40+/m0/s1
inchikey
VMLJBDMMPGMLSB-JEJLXXDBSA-N
mass
770.81600
monoisotopicmass
770.31497
smiles
COC(=O)C[C@H]1[C@]2(C)C[C@@]3(OC(C)=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
Term relations
Subclass of:
- furans
- tertiary alcohol
- methyl ester
- delta-lactone
- limonoid
- bridged compound
- secondary alcohol
- acetate ester
- organic heteropentacyclic compound
- has functional parent some tiglic acid
- has functional parent some 2-hydroxyisobutyric acid
- has functional parent some trichagmalin F
- has role some plant metabolite