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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 > delta3,5-deoxyneotigogenin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > delta3,5-deoxyneotigogenin

Preferred term

delta3,5-deoxyneotigogenin  

Type

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

Broader concept

charge

  • 0

formula

  • C27H40O2

inchi

  • InChI=1S/C27H40O2/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24H,6,9-16H2,1-4H3/t17-,18-,20?,21?,22?,23-,24-,25-,26-,27+/m0/s1

inchikey

  • YEQBGJNMHDZXRG-HCDRJGBUSA-N

mass

  • 396.615

monoisotopicmass

  • 396.30283

smiles

  • O1[C@@]2([C@@]([C@@]3(C(C4C(CC3)[C@@]5(C(=CC4)C=CCC5)C)C2)C)([C@@H]([C@]16OC[C@H](CC6)C)C)[H])[H]

subset

  • 2_STAR

synonym EXACT

  • (4S,5'S,6R,7S,8R,9S,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-16,18-diene-6,2'-oxane]

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:229098

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