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Chemistry, part 2

Content language

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Concept information

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

Preferred term

citreohybriddione a  

Type

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

Broader concept

charge

  • 0

formula

  • C28H36O9

inchi

  • InChI=1S/C28H36O9/c1-13-11-16-24(5,28(22(33)35-8)20(31)26(7,34)19(30)25(13,28)6)12-15-18-23(3,4)17(36-14(2)29)9-10-27(16,18)21(32)37-15/h11,15-18,34H,9-10,12H2,1-8H3/t15-,16?,17-,18?,24-,25-,26-,27+,28+/m0/s1

inchikey

  • NDCDPFWRTBREII-HEAQFLLASA-N

mass

  • 516.587

monoisotopicmass

  • 516.23593

smiles

  • O=C1O[C@H]2C[C@]3(C([C@]14C2C([C@@H](OC(=O)C)CC4)(C)C)C=C([C@]5(C(=O)[C@@](C([C@@]35C(=O)OC)=O)(O)C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • methyl (1R,5R,7S,9R,10S,12S,15S)-15-acetyloxy-7-hydroxy-4,5,7,10,14,14-hexamethyl-6,8,18-trioxo-19-oxapentacyclo[10.5.2.01,13.02,10.05,9]nonadec-3-ene-9-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:212299

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