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

Preferred term

irpexan  

Type

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

Broader concept

charge

  • 0

formula

  • C36H62O7

inchi

  • InChI=1S/C36H62O7/c1-25(2)14-9-16-27(5)18-11-19-28(6)20-12-22-31(43-35-34(40)33(39)32(38)30(24-37)42-35)36(8,41)23-13-21-29(7)17-10-15-26(3)4/h14-15,18,20-21,30-35,37-41H,9-13,16-17,19,22-24H2,1-8H3/b27-18+,28-20+,29-21+/t30-,31?,32-,33+,34+,35+,36?/m1/s1

inchikey

  • AAEDIAWSKYSEKJ-ULWXIDRDSA-N

mass

  • 606.885

monoisotopicmass

  • 606.44955

smiles

  • O1[C@@H](OC(C(O)(CC/C=C(/CCC=C(C)C)/C)C)CC/C=C(/CC/C=C(/CCC=C(C)C)/C)/C)[C@@H](O)[C@@H](O)[C@@H]([C@H]1CO)O

subset

  • 2_STAR

synonym EXACT

  • (2S,3S,4S,5S,6R)-2-[(6E,14E,18E)-10-hydroxy-2,6,10,15,19,23-hexamethyltetracosa-2,6,14,18,22-pentaen-11-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:208836

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