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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ester > steroid ester > andrastone c
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > steroid ester > andrastone c
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > steroid ester > andrastone 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 polycyclic compound > steroid > steroid ester > andrastone c
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > steroid ester > andrastone c
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > steroid ester > andrastone c

Preferred term

andrastone c  

Type

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

Broader concept

charge

  • 0

formula

  • C28H36O8

inchi

  • InChI=1S/C28H36O8/c1-13-11-16-26(7)22(36-21-14(2)20(32)25(13,6)28(21,26)23(33)34-8)18(31)19-24(4,5)17(35-15(3)30)9-10-27(16,19)12-29/h11-12,16-19,22,31H,9-10H2,1-8H3/t16-,17+,18-,19-,22+,25+,26-,27-,28+/m1/s1

inchikey

  • NNGUCZKIHFDFHF-SCFANIAOSA-N

mass

  • 500.588

monoisotopicmass

  • 500.24102

smiles

  • O=C1C(=C2O[C@H]3[C@H](O)[C@@H]4C([C@@H](OC(=O)C)CC[C@]4([C@@H]5C=C([C@@]1([C@]2(C(=O)OC)[C@@]35C)C)C)C=O)(C)C)C

subset

  • 2_STAR

synonym EXACT

  • methyl (1R,2R,3R,5S,8R,9R,12R,16R,17S)-5-acetyloxy-8-ormyl-2-hydroxy-4,4,11,12,14,17-hexamethyl-13-oxo-18-oxapentacyclo[13.2.1.03,8.09,17.012,16]octadeca-10,14-diene-16-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:210036

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