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

Preferred term

secosterol-b  

Type

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

Broader concept

charge

  • 0

formula

  • C27H46O3

inchi

  • InChI=1S/C27H46O3/c1-17(2)7-6-8-18(3)20-9-10-21-24-22(12-13-25(20,21)4)26(5)14-11-19(29)15-27(26,30)23(24)16-28/h16-24,29-30H,6-15H2,1-5H3/t18-,19+,20-,21?,22?,23?,24?,25-,26-,27-/m1/s1

inchikey

  • XILGKUFKDWNZBF-ZGKXBFEHSA-N

mass

  • 418.662

monoisotopicmass

  • 418.34470

smiles

  • O[C@@]12[C@@](C3C(C4[C@@]([C@](CC4)([C@@H](CCCC(C)C)C)[H])(CC3)C)C1C=O)(CC[C@H](O)C2)C

subset

  • 2_STAR

synonym EXACT

  • (3R,3aR,5bR,8S,9aR,10R)-8,9a-dihydroxy-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,5a,6,7,8,9,10,10a,10b-dodecahydro-1H-cyclopenta[a]luorene-10-carbaldehyde

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:166813

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