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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 > lipid > steroid > ergostanoid > ergosterimide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > ergosterimide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > ergosterimide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > ergosterimide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > ergostanoid > ergosterimide

Preferred term

ergosterimide  

Type

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

Broader concept

charge

  • 0

formula

  • C32H45NO3

inchi

  • InChI=1S/C32H45NO3/c1-16(2)17(3)7-8-18(4)24-15-22-27-26(29(35)33-30(27)36)21-14-19-13-20(34)9-11-31(19,5)23-10-12-32(24,6)28(22)25(21)23/h7-8,14,16-18,20-24,26-27,34H,9-13,15H2,1-6H3,(H,33,35,36)/b8-7+/t17-,18+,20-,21+,22+,23?,24?,26-,27+,31-,32+/m0/s1

inchikey

  • UVJQWIZGFAYGJK-YJNQILDBSA-N

mass

  • 491.716

monoisotopicmass

  • 491.33994

smiles

  • O=C1NC(=O)[C@H]2[C@@H]1[C@H]3C4=C5[C@@](CCC4[C@]6(CC[C@@H](CC6=C3)O)C)(C)C(C[C@H]25)[C@@H](/C=C/[C@@H](C(C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,5S,8R,12R,15R,16R,20S)-13-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-5-hydroxy-8,12-dimethyl-18-azahexacyclo[10.8.2.03,8.09,21.015,22.016,20]docosa-2,21-diene-17,19-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:220330

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