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Chemistry, part 2

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Concept information

organooxygen compound > ester > carboxylic ester > methyl ester > 1,2-diacetyltrichagmalin c
organooxygen compound > carbonyl compound > carboxylic ester > methyl ester > 1,2-diacetyltrichagmalin c
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > methyl ester > 1,2-diacetyltrichagmalin c
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > methyl ester > 1,2-diacetyltrichagmalin c
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heteropentacyclic compound > 1,2-diacetyltrichagmalin c
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heteropentacyclic compound > 1,2-diacetyltrichagmalin c
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heteropentacyclic compound > 1,2-diacetyltrichagmalin c
organooxygen compound > oxacycle > furans > 1,2-diacetyltrichagmalin c
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > furans > 1,2-diacetyltrichagmalin c
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > furans > 1,2-diacetyltrichagmalin c
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > furans > 1,2-diacetyltrichagmalin c
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > furans > 1,2-diacetyltrichagmalin c
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > furans > 1,2-diacetyltrichagmalin c
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > furans > 1,2-diacetyltrichagmalin c
organooxygen compound > ester > carboxylic ester > acetate ester > 1,2-diacetyltrichagmalin c
organooxygen compound > carbonyl compound > carboxylic ester > acetate ester > 1,2-diacetyltrichagmalin c
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > acetate ester > 1,2-diacetyltrichagmalin c
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > acetate ester > 1,2-diacetyltrichagmalin c
... > organooxygen compound > ester > carboxylic ester > lactone > delta-lactone > 1,2-diacetyltrichagmalin c
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > delta-lactone > 1,2-diacetyltrichagmalin c
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > delta-lactone > 1,2-diacetyltrichagmalin c
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > delta-lactone > 1,2-diacetyltrichagmalin c
organooxygen compound > ester > lactone > delta-lactone > 1,2-diacetyltrichagmalin c
organooxygen compound > oxacycle > lactone > delta-lactone > 1,2-diacetyltrichagmalin c
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > delta-lactone > 1,2-diacetyltrichagmalin c
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > delta-lactone > 1,2-diacetyltrichagmalin c
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > delta-lactone > 1,2-diacetyltrichagmalin c
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > triterpenoid > limonoid > 1,2-diacetyltrichagmalin c
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > limonoid > 1,2-diacetyltrichagmalin c

Preferred term

1,2-diacetyltrichagmalin c  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C40H50O14

has_functional_parent

has_role

inchi

  • InChI=1S/C40H50O14/c1-11-20(4)33(46)52-35-37(8)18-39(53-21(5)41)38(9,25(37)16-26(43)48-10)24-12-14-36(7)28(29(44)34(47)50-30(36)23-13-15-49-17-23)27(24)31(51-32(45)19(2)3)40(35,39)54-22(6)42/h11,13,15,17,19,24-25,29-31,35,44H,12,14,16,18H2,1-10H3/b20-11+/t24-,25-,29+,30-,31-,35-,36+,37-,38+,39+,40+/m0/s1

inchikey

  • KMCYMYLMRRFJCC-FWMZLBIESA-N

mass

  • 754.81660

monoisotopicmass

  • 754.32006

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

subset

  • 3_STAR

synonym EXACT

  • (1R,4R,5S,6S,6aR,8S,9S,9aS,9bS,11aR,12S)-6,6a-bis(acetyloxy)-1-(furan-3-yl)-4-hydroxy-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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68363

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