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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 > (+)-(5alpha,24e)-3beta-acetoxyllanosta-7,9(11),24-triene-26-ol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > (+)-(5alpha,24e)-3beta-acetoxyllanosta-7,9(11),24-triene-26-ol

Preferred term

(+)-(5alpha,24e)-3beta-acetoxyllanosta-7,9(11),24-triene-26-ol  

Type

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

Broader concept

charge

  • 0

formula

  • C31H48O3

inchi

  • InChI=1S/C31H48O3/c1-21(19-32)9-8-10-22(2)23-13-17-31(7)25-11-12-26-28(3,4)27(34-20-33)15-16-29(26,5)24(25)14-18-30(23,31)6/h9,11,14,20,22-23,26-27,32H,8,10,12-13,15-19H2,1-7H3/b21-9+/t22-,23-,26+,27+,29-,30-,31+/m1/s1

inchikey

  • KLERAWCDVJYHNH-KOKLGGJKSA-N

mass

  • 468.722

monoisotopicmass

  • 468.36035

smiles

  • O=CO[C@@H]1C([C@H]2[C@](C=3C([C@]4([C@]([C@@H]([C@@H](CC/C=C(/CO)/C)C)CC4)(C)CC3)C)=CC2)(C)CC1)(C)C

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216037

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