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

Preferred term

stereinone i  

Type

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

Broader concept

charge

  • 0

formula

  • C32H54O5

inchi

  • InChI=1S/C32H54O5/c1-19(10-13-25(34)29(5,6)36)21-14-17-31(8)22-11-12-24-28(3,4)27(37-20(2)33)15-16-30(24,7)23(22)18-26(35)32(21,31)9/h19,21,24-27,34-36H,10-18H2,1-9H3/t19-,21-,24+,25+,26-,27+,30-,31+,32+/m1/s1

inchikey

  • VONUTBNGQSASQX-JVXVSLEUSA-N

mass

  • 518.779

monoisotopicmass

  • 518.39712

smiles

  • O=C(O[C@@H]1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H](CC[C@H](O)C(O)(C)C)C)CC4)(C)[C@@H](C3)O)C)CC2)(C)CC1)(C)C)C

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:217564

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