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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 > sesquiterpenoid > secosterol-a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > secosterol-a

Preferred term

secosterol-a  

Type

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

Broader concept

charge

  • 0

formula

  • C27H46O3

inchi

  • InChI=1S/C27H46O3/c1-18(2)7-6-8-19(3)22-9-10-23-21(13-16-28)24(12-15-26(22,23)4)27(5)14-11-20(29)17-25(27)30/h16,18-24,29H,6-15,17H2,1-5H3/t19-,20+,21+,22-,23?,24+,26-,27-/m1/s1

inchikey

  • YAKOGNWFSAFQBB-CGPSQUAXSA-N

mass

  • 418.662

monoisotopicmass

  • 418.34470

smiles

  • O=C1[C@@]([C@@]2([C@H](C3[C@@]([C@](CC3)([C@@H](CCCC(C)C)C)[H])(CC2)C)CC=O)[H])(CC[C@H](O)C1)C

subset

  • 2_STAR

synonym EXACT

  • 2-[(1R,4S,5S,7aR)-5-[(1R,4S)-4-hydroxy-1-methyl-2-oxocyclohexyl]-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]acetaldehyde

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:166812

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