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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 > sesterterpenoid > scalarane sesterterpenoid > 12-epi-scalarin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesterterpenoid > scalarane sesterterpenoid > 12-epi-scalarin

Preferred term

12-epi-scalarin  

Type

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

Broader concept

charge

  • 0

formula

  • C27H40O5

has_role

inchi

  • InChI=1S/C27H40O5/c1-15(28)31-20-14-19-25(4)12-7-11-24(2,3)17(25)10-13-26(19,5)18-9-8-16-21(27(18,20)6)23(30)32-22(16)29/h8,17-21,23,30H,7,9-14H2,1-6H3/t17-,18-,19+,20+,21+,23+,25-,26-,27+/m0/s1

inchikey

  • VLFJWLVMFJQJEU-VUZQMFHASA-N

mass

  • 444.60350

monoisotopicmass

  • 444.28757

smiles

  • [H][C@@]12CC[C@]3(C)[C@]([H])(C[C@@H](OC(C)=O)[C@@]4(C)[C@@]3([H])CC=C3C(=O)O[C@@H](O)[C@]43[H])[C@@]1(C)CCCC2(C)C

subset

  • 3_STAR

synonym EXACT

  • 12-epi-scalarin
  • (17a(1)R)-12beta-acetoxy-17a(1)-hydroxy-4,4,8,17,17abeta-pentamethyl-17a-homo-5alpha-androst-16-ene-17,17a(1)-carbolactone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:519990

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