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Chemistry, part 2

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Concept information

... > organooxygen compound > carbonyl compound > ketone > oxo steroid > 19-oxo steroid > 3-deacetylated andrastin a
... > 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 > ketone > oxo steroid > 19-oxo steroid > 3-deacetylated andrastin a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > oxo steroid > 19-oxo steroid > 3-deacetylated andrastin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > oxo steroid > 19-oxo steroid > 3-deacetylated andrastin a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > oxo steroid > 19-oxo steroid > 3-deacetylated andrastin a
... > 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 polycyclic compound > steroid > oxo steroid > 19-oxo steroid > 3-deacetylated andrastin a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > oxo steroid > 19-oxo steroid > 3-deacetylated andrastin a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > oxo steroid > 19-oxo steroid > 3-deacetylated andrastin a

Preferred term

3-deacetylated andrastin a  

Type

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

Broader concept

charge

  • 0

formula

  • C26H36O6

inchi

  • InChI=1S/C26H36O6/c1-14-12-17-23(5,10-8-16-22(3,4)18(28)9-11-25(16,17)13-27)26(21(31)32-7)20(30)15(2)19(29)24(14,26)6/h12-13,16-18,28-29H,8-11H2,1-7H3/t16-,17-,18+,23+,24+,25+,26-/m1/s1

inchikey

  • KEWOZYPKHHIKQF-SQCGRQCHSA-N

mass

  • 444.568

monoisotopicmass

  • 444.25119

smiles

  • O=C1C(=C(O)[C@]2([C@]1(C(=O)OC)[C@@]3([C@@H](C=C2C)[C@@]4(C=O)[C@@H](C([C@@H](O)CC4)(C)C)CC3)C)C)C

subset

  • 2_STAR

synonym EXACT

  • methyl (3S,5R,8S,9R,10S,13R,14R)-10-ormyl-3,17-dihydroxy-4,4,8,12,13,16-hexamethyl-15-oxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-14-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:210565

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