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

Preferred term

inotodiol  

Type

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

Broader concept

charge

  • 0

formula

  • C30H50O2

inchi

  • InChI=1S/C30H50O2/c1-19(2)9-11-24(31)20(3)21-13-17-30(8)23-10-12-25-27(4,5)26(32)15-16-28(25,6)22(23)14-18-29(21,30)7/h9,20-21,24-26,31-32H,10-18H2,1-8H3/t20-,21+,24+,25-,26-,28+,29+,30-/m0/s1

inchikey

  • KKWJCGCIAHLFNE-KFPHZHIMSA-N

mass

  • 442.728

monoisotopicmass

  • 442.38108

smiles

  • O[C@@H]1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H]([C@H](O)CC=C(C)C)C)CC4)(C)CC3)C)CC2)(C)CC1)(C)C

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:199329

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