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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > carbopolycyclic compound > carbobicyclic compound > tetralins > 12-acetoxy-13-epi-neoverrucosan-5-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > carbocyclic compound > carbopolycyclic compound > carbobicyclic compound > tetralins > 12-acetoxy-13-epi-neoverrucosan-5-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > carbopolycyclic compound > carbobicyclic compound > tetralins > 12-acetoxy-13-epi-neoverrucosan-5-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > tetralins > 12-acetoxy-13-epi-neoverrucosan-5-one
... > 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 aromatic compound > benzenoid aromatic compound > tetralins > 12-acetoxy-13-epi-neoverrucosan-5-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > tetralins > 12-acetoxy-13-epi-neoverrucosan-5-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > tetralins > 12-acetoxy-13-epi-neoverrucosan-5-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > tetralins > 12-acetoxy-13-epi-neoverrucosan-5-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > tetralins > 12-acetoxy-13-epi-neoverrucosan-5-one

Preferred term

12-acetoxy-13-epi-neoverrucosan-5-one  

Type

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

Broader concept

charge

  • 0

formula

  • C21H25BrO5

inchi

  • InChI=1S/C21H25BrO5/c1-10-8-12-15(18(25)17(10)22)19(26)20(3,4)13-6-7-21(5,16(12)13)14(24)9-27-11(2)23/h8,13,16,25H,6-7,9H2,1-5H3/t13-,16-,21-/m0/s1

inchikey

  • HEZKMHDIQHFUBS-PCMMCCAGSA-N

mass

  • 437.330

monoisotopicmass

  • 436.08854

smiles

  • BrC1=C(O)C=2C(=O)C([C@H]3CC[C@]([C@H]3C2C=C1C)(C(=O)COC(=O)C)C)(C)C

subset

  • 2_STAR

synonym EXACT

  • [2-[(1R,3aS,9bR)-7-bromo-6-hydroxy-1,4,4,8-tetramethyl-5-oxo-2,3,3a,9b-tetrahydrocyclopenta[a]naphthalen-1-yl]-2-oxoethyl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:204075

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