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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 > 8alpha,9alpha-epoxy-4,4,14alpha-trimethyl-3,7,11,15,20-pentaoxo-5alpha-pregnane
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > 8alpha,9alpha-epoxy-4,4,14alpha-trimethyl-3,7,11,15,20-pentaoxo-5alpha-pregnane

Preferred term

8alpha,9alpha-epoxy-4,4,14alpha-trimethyl-3,7,11,15,20-pentaoxo-5alpha-pregnane  

Type

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

Broader concept

charge

  • 0

formula

  • C24H30O6

inchi

  • InChI=1S/C24H30O6/c1-12(25)13-9-16(27)22(6)21(13,5)11-18(29)23-20(4)8-7-15(26)19(2,3)14(20)10-17(28)24(22,23)30-23/h13-14H,7-11H2,1-6H3/t13-,14+,20+,21-,22-,23+,24+/m1/s1

inchikey

  • NZNMCSYRDNCBPL-BNAOJXJXSA-N

mass

  • 414.498

monoisotopicmass

  • 414.20424

smiles

  • O=C1C([C@H]2[C@]([C@]34O[C@]3([C@@]5(C(=O)C[C@@H]([C@]5(CC4=O)C)C(=O)C)C)C(C2)=O)(C)CC1)(C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,2S,7R,10S,11R,14S,15R)-14-acetyl-2,6,6,11,15-pentamethyl-18-oxapentacyclo[8.7.1.01,10.02,7.011,15]octadecane-5,9,12,17-tetrone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202411

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