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Chemistry, part 2

Content language

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Concept information

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

Preferred term

citreohybridone e  

Type

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

Broader concept

charge

  • 0

formula

  • C29H38O8

inchi

  • InChI=1S/C29H38O8/c1-14-12-18-26(6,29(24(33)35-9)21(31)15(2)22(34-8)27(14,29)7)13-17-20-25(4,5)19(36-16(3)30)10-11-28(18,20)23(32)37-17/h12,17-20H,10-11,13H2,1-9H3/t17-,18?,19-,20?,26-,27-,28+,29+/m0/s1

inchikey

  • QNHOLCTZVWNAQW-GQSKQXEDSA-N

mass

  • 514.615

monoisotopicmass

  • 514.25667

smiles

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

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202193

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