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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > diterpenoid > [(6z,12e)-4,9,11-triacetyloxy-3a-hydroxy-2,5,8,8,12-pentamethyl-2,3,4,5,9,10,11,13a-octahydro-1h-cyclopenta[12]annulen-1-yl] benzoate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > [(6z,12e)-4,9,11-triacetyloxy-3a-hydroxy-2,5,8,8,12-pentamethyl-2,3,4,5,9,10,11,13a-octahydro-1h-cyclopenta[12]annulen-1-yl] benzoate

Preferred term

[(6z,12e)-4,9,11-triacetyloxy-3a-hydroxy-2,5,8,8,12-pentamethyl-2,3,4,5,9,10,11,13a-octahydro-1h-cyclopenta[12]annulen-1-yl] benzoate  

Type

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

Broader concept

charge

  • 0

formula

  • C33H44O9

inchi

  • InChI=1S/C33H44O9/c1-19-14-15-32(7,8)28(40-23(5)35)17-27(39-22(4)34)20(2)16-26-29(42-31(37)25-12-10-9-11-13-25)21(3)18-33(26,38)30(19)41-24(6)36/h9-16,19,21,26-30,38H,17-18H2,1-8H3/b15-14-,20-16+

inchikey

  • BRVXVMOWTHQKHC-HIAHFQITSA-N

mass

  • 584.706

monoisotopicmass

  • 584.29853

smiles

  • OC12C(C(OC(=O)C3=CC=CC=C3)C(C1)C)C=C(C(OC(=O)C)CC(OC(=O)C)C(C=CC(C2OC(=O)C)C)(C)C)C

subset

  • 2_STAR

synonym EXACT

  • [(6Z,12E)-4,9,11-triacetyloxy-3a-hydroxy-2,5,8,8,12-pentamethyl-2,3,4,5,9,10,11,13a-octahydro-1H-cyclopenta[12]annulen-1-yl] benzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181943

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