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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 > triterpenoid > echinodol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > echinodol

Preferred term

echinodol  

Type

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

Broader concept

charge

  • 0

formula

  • C32H50O4

inchi

  • InChI=1S/C32H50O4/c1-18(2)16-23-28(35-20(4)33)19(3)27-24(36-23)17-32(9)22-10-11-25-29(5,6)26(34)13-14-30(25,7)21(22)12-15-31(27,32)8/h16,19,23-28,34H,10-15,17H2,1-9H3/t19-,23-,24+,25?,26-,27-,28+,30+,31+,32-/m0/s1

inchikey

  • CPTYJLQLCCZXEV-VHHSCEHSSA-N

mass

  • 498.748

monoisotopicmass

  • 498.37091

smiles

  • O=C(O[C@H]1[C@@H](O[C@@H]2C[C@@]3([C@@]([C@H]2[C@@H]1C)(CCC4=C3CCC5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C)C=C(C)C)C

subset

  • 2_STAR

synonym EXACT

  • [(2R,4R,6S,7R,8S,9R,10R,14S,17S)-17-hydroxy-2,8,10,14,18,18-hexamethyl-6-(2-methylprop-1-enyl)-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-1(13)-en-7-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200621

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