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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 > 25-methylpisolactone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > 25-methylpisolactone

Preferred term

25-methylpisolactone  

Type

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

Broader concept

charge

  • 0

formula

  • C32H52O3

inchi

  • InChI=1S/C32H52O3/c1-19(24-18-23(27(34)35-24)28(2,3)4)20-12-16-32(9)22-10-11-25-29(5,6)26(33)14-15-30(25,7)21(22)13-17-31(20,32)8/h19-20,23-26,33H,10-18H2,1-9H3/t19-,20+,23-,24-,25-,26-,30+,31+,32-/m0/s1

inchikey

  • LQUKLMKTWJIZTL-RAPLVLAISA-N

mass

  • 484.765

monoisotopicmass

  • 484.39165

smiles

  • O=C1O[C@H]([C@H]([C@@H]2[C@@]3([C@@](C4=C([C@@]5([C@H](C([C@@H](O)CC5)(C)C)CC4)C)CC3)(C)CC2)C)C)C[C@@H]1C(C)(C)C

subset

  • 2_STAR

synonym EXACT

  • (3R,5S)-3-tert-butyl-5-[(1S)-1-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]oxolan-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:197601

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