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trichagmalin C

Go to external page http://purl.obolibrary.org/obo/CHEBI_68361

A limonoid with a phragmalin skeleton isolated from the leaves of Trichilia connaroides.

Term info

Label

trichagmalin C

Synonyms
  • (1R,4R,5S,6S,6aR,8R,9S,9aS,9bS,11aR,12S)-1-(furan-3-yl)-4,6,6a-trihydroxy-9-(2-methoxy-2-oxoethyl)-8,9a,11a-trimethyl-5-[(2-methylpropanoyl)oxy]-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,8R,9S,9aS,9bS,11aR,12S)-1-(furan-3-yl)-4,6,6a-trihydroxy-9-(2-methoxy-2-oxoethyl)-8,9a,11a-trimethyl-5-[(2-methylpropanoyl)oxy]-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

C36H46O12

has obo namespace

chebi_ontology

id

CHEBI:68361

inchi

InChI=1S/C36H46O12/c1-9-18(4)29(40)48-31-33(6)16-35(42)34(7,21(33)14-22(37)44-8)20-10-12-32(5)24(23(20)27(36(31,35)43)47-28(39)17(2)3)25(38)30(41)46-26(32)19-11-13-45-15-19/h9,11,13,15,17,20-21,25-27,31,38,42-43H,10,12,14,16H2,1-8H3/b18-9+/t20-,21-,25+,26-,27-,31-,32+,33+,34+,35+,36+/m0/s1

inchikey

XMZGJPBRNKWASO-SQHCDZGASA-N

mass

670.74320

monoisotopicmass

670.29893

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