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Chemistry, part 2

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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 > (22e,24r)-ergosta-7,22-dien-3beta,9alpha,14beta-trihydroxyl-6-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > (22e,24r)-ergosta-7,22-dien-3beta,9alpha,14beta-trihydroxyl-6-one
... > 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 > (22e,24r)-ergosta-7,22-dien-3beta,9alpha,14beta-trihydroxyl-6-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > (22e,24r)-ergosta-7,22-dien-3beta,9alpha,14beta-trihydroxyl-6-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > ergostanoid > (22e,24r)-ergosta-7,22-dien-3beta,9alpha,14beta-trihydroxyl-6-one

Preferred term

(22e,24r)-ergosta-7,22-dien-3beta,9alpha,14beta-trihydroxyl-6-one  

Type

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

Broader concept

charge

  • 0

formula

  • C28H44O4

inchi

  • InChI=1S/C28H44O4/c1-17(2)18(3)7-8-19(4)21-10-12-27(31)24-16-23(30)22-15-20(29)9-11-25(22,5)28(24,32)14-13-26(21,27)6/h7-8,16-22,29,31-32H,9-15H2,1-6H3/b8-7+/t18-,19+,20-,21+,22+,25-,26+,27-,28+/m0/s1

inchikey

  • ILWGYCPOMYIMNG-PCXRWZPLSA-N

mass

  • 444.656

monoisotopicmass

  • 444.32396

smiles

  • O=C1C=C2[C@](O)(CC[C@]3([C@]2(O)CC[C@@H]3[C@@H](/C=C/[C@@H](C(C)C)C)C)C)[C@@]4([C@@H]1C[C@@H](O)CC4)C

subset

  • 2_STAR

synonym EXACT

  • (3S,5S,9S,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3,9,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227895

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