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

Preferred term

crenarchaeol  

Type

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

Broader concept

charge

  • 0

formula

  • C82H154O6

inchi

  • InChI=1S/C82H154O6/c1-61-20-12-27-68(8)75-41-37-71(48-75)30-15-23-64(4)56-86-60-81(54-84)88-58-67(7)26-18-33-74-40-44-78(51-74)79-34-19-46-82(11,52-79)47-45-63(3)22-14-29-70(10)77-42-38-72(49-77)31-16-24-65(5)55-85-59-80(53-83)87-57-66(6)25-17-32-73-39-43-76(50-73)69(9)28-13-21-62(2)36-35-61/h61-81,83-84H,12-60H2,1-11H3/t61?,62?,63?,64?,65?,66?,67?,68?,69?,70?,71?,72?,73?,74?,75?,76?,77?,78?,79?,80?,81?,82-/m1/s1

inchikey

  • VLTNDASRNRVJQP-WSQXWWSNSA-N

mass

  • 1236.128

monoisotopicmass

  • 1235.17454

smiles

  • O1C[C@H](CCCC2CC(C3C[C@](CCC3)(CC[C@@H](CCC[C@@H](C4CC(CC4)CCC[C@@H](COC[C@@H](OC[C@H](CCCC5CC(CC5)[C@H](CCC[C@H](CC[C@@H](CCC[C@@H](C6CC(CC6)CCC[C@@H](COC[C@@H]1CO)C)C)C)C)C)C)CO)C)C)C)C)CC2)C

subset

  • 2_STAR

synonym EXACT

  • [(9S,12S,16S,24S,28R,31R,35S,43S,46S,50S,58S,62R,65R)-12-(hydroxymethyl)-9,16,24,28,31,35,43,50,58,62,65-undecamethyl-11,14,45,48-tetraoxahexacyclo[63.3.1.12,5.120,23.136,39.154,57]triheptacontan-46-yl]methanol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:186598

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