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Chemistry, part 2

Content language

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Concept information

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

Preferred term

isocitreohybridone i  

Type

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

Broader concept

charge

  • 0

formula

  • C29H38O9

inchi

  • InChI=1S/C29H38O9/c1-13-21(32)29(24(34)36-9)26(6)12-16-19-25(4,5)17(37-15(3)30)10-11-28(19,23(33)38-16)20(26)18(31)14(2)27(29,7)22(13)35-8/h16-20,31H,2,10-12H2,1,3-9H3/t16-,17-,18-,19?,20?,26-,27-,28-,29+/m0/s1

inchikey

  • BYHJQZCELUYEOU-PIUUBGHSSA-N

mass

  • 530.614

monoisotopicmass

  • 530.25158

smiles

  • O=C1O[C@H]2C[C@]3(C([C@]14C2C([C@@H](OC(=O)C)CC4)(C)C)[C@@H](O)C(=C)[C@@]5([C@]3(C(=O)C(C)=C5OC)C(=O)OC)C)C

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206952

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