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Chemistry, part 1

Content language

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Concept information

organooxygen compound > 7-acetoxydehydroaustinol

Preferred term

7-acetoxydehydroaustinol  

Type

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

Broader concept

charge

  • 0

formula

  • C27H30O10

has_functional_parent

inchi

  • InChI=1S/C27H30O10/c1-12-22(7)18(30)26-13(2)24(10-9-17(29)35-21(24,5)6)11-16(34-15(4)28)23(26,8)25(12)19(31)33-14(3)27(25,37-26)20(32)36-22/h9-10,14,16,18,30H,1-2,11H2,3-8H3/t14-,16-,18-,22+,23-,24+,25+,26+,27-/m1/s1

inchikey

  • XBEHMUKXQBIBCH-UEAOMNGASA-N

mass

  • 514.527

monoisotopicmass

  • 514.18390

smiles

  • O=C1OC([C@@]2(C(=C)[C@]34O[C@@]56C(=O)O[C@@]([C@H]3O)(C)C([C@@]6([C@@]4(C)[C@@H](C2)OC(=O)C)C(=O)O[C@@H]5C)=C)C=C1)(C)C

subset

  • 2_STAR

synonym EXACT

  • [(1S,2S,3R,5R,7R,8R,9S,12R,13R)-8-hydroxy-2,2',2',9,13-pentamethyl-6,16-dimethylidene-6',11,15-trioxospiro[10,14,17-trioxapentacyclo[7.6.1.17,12.01,12.02,7]heptadecane-5,3'-pyran]-3-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:226714

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