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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 > 12beta-20-ursen-12-ol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > 12beta-20-ursen-12-ol

Preferred term

12beta-20-ursen-12-ol  

Type

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

Broader concept

charge

  • 0

formula

  • C30H50O

inchi

  • InChI=1S/C30H50O/c1-19-10-14-27(5)16-17-30(8)25(24(27)20(19)2)21(31)18-23-28(6)13-9-12-26(3,4)22(28)11-15-29(23,30)7/h10,20-25,31H,9,11-18H2,1-8H3/t20-,21+,22?,23?,24-,25+,27+,28-,29+,30+/m0/s1

inchikey

  • VBUWOXTVZDSTHP-HHCMUIRZSA-N

mass

  • 426.729

monoisotopicmass

  • 426.38617

smiles

  • O[C@H]1[C@]2([C@]([C@]3(C([C@@]4(C(CC3)C(CCC4)(C)C)C)C1)C)(CC[C@@]5([C@]2([C@H](C(=CC5)C)C)[H])C)C)[H]

subset

  • 2_STAR

synonym EXACT

  • (6aR,6aR,6bR,8aS,12R,12aS,13R,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-13-ol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:175461

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