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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heteropentacyclic compound > 23-acetoxy-12-epi-deoxoscalarin
... > 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 > 23-acetoxy-12-epi-deoxoscalarin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heteropentacyclic compound > 23-acetoxy-12-epi-deoxoscalarin
organooxygen compound > ester > carboxylic ester > acetate ester > 23-acetoxy-12-epi-deoxoscalarin
organooxygen compound > carbonyl compound > carboxylic ester > acetate ester > 23-acetoxy-12-epi-deoxoscalarin
... > 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 > 23-acetoxy-12-epi-deoxoscalarin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > acetate ester > 23-acetoxy-12-epi-deoxoscalarin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > sesterterpenoid > scalarane sesterterpenoid > 23-acetoxy-12-epi-deoxoscalarin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesterterpenoid > scalarane sesterterpenoid > 23-acetoxy-12-epi-deoxoscalarin

Preferred term

23-acetoxy-12-epi-deoxoscalarin  

Type

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

Broader concept

charge

  • 0

formula

  • C29H44O6

has_functional_parent

has_role

inchi

  • InChI=1S/C29H44O6/c1-17(30)34-16-29-12-7-11-26(3,4)20(29)10-13-27(5)21-9-8-19-15-33-25(32)24(19)28(21,6)23(14-22(27)29)35-18(2)31/h8,20-25,32H,7,9-16H2,1-6H3/t20-,21-,22-,23+,24+,25+,27-,28+,29+/m0/s1

inchikey

  • KUKXABQOPRSQOW-IQVVWXMOSA-N

mass

  • 488.65610

monoisotopicmass

  • 488.31379

smiles

  • CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@@]1(C)[C@@H]3CC=C4CO[C@@H](O)[C@@H]4[C@@]3(C)[C@@H](C[C@H]21)OC(C)=O

subset

  • 3_STAR

synonym EXACT

  • rel[(1R,5aS,5bR,7aS,11aR,11bS,13R,13aS,13bS)-13-(acetyloxy)-1-hydroxy-5b,8,8,13a-tetramethyl-1,5,5a,5b,6,7,7a,8,9,10,11,11b,12,13,13a,13b-hexadecahydrochryseno[1,2-c]furan-11a(3H)-yl]methyl acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68042

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