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Chemistry, part 2

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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 > sesterterpenoid > scalarane sesterterpenoid > [(5as,5bs,7s,7as,11as,11bs,13as)-7-hydroxy-5b,8,8,13a-tetramethyl-3-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-1h-phenanthro[2,1-e][2]benzouran-11a-yl]methyl acetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesterterpenoid > scalarane sesterterpenoid > [(5as,5bs,7s,7as,11as,11bs,13as)-7-hydroxy-5b,8,8,13a-tetramethyl-3-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-1h-phenanthro[2,1-e][2]benzouran-11a-yl]methyl acetate

Preferred term

[(5as,5bs,7s,7as,11as,11bs,13as)-7-hydroxy-5b,8,8,13a-tetramethyl-3-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-1h-phenanthro[2,1-e][2]benzouran-11a-yl]methyl acetate  

Type

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

Broader concept

charge

  • 0

formula

  • C27H40O5

inchi

  • InChI=1S/C27H40O5/c1-16(28)32-15-27-11-6-10-24(2,3)22(27)19(29)13-26(5)20-8-7-17-18(14-31-23(17)30)25(20,4)12-9-21(26)27/h19-22,29H,6-15H2,1-5H3/t19-,20+,21-,22-,25+,26-,27-/m0/s1

inchikey

  • VOWJYLPWDXLKDR-WYRWBKOKSA-N

mass

  • 444.612

monoisotopicmass

  • 444.28757

smiles

  • O=C1OCC2=C1CC[C@@H]3[C@@]2(CC[C@H]4[C@]3(C[C@H](O)[C@@H]5[C@@]4(CCCC5(C)C)COC(=O)C)C)C

subset

  • 2_STAR

synonym EXACT

  • [(5aS,5bS,7S,7aS,11aS,11bS,13aS)-7-hydroxy-5b,8,8,13a-tetramethyl-3-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-1H-phenanthro[2,1-e][2]benzouran-11a-yl]methyl acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:217624

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