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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 > (22e,24r)-9alpha,15alpha-dihydroxyergosta-4,6,8(14),22-tetraene-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > (22e,24r)-9alpha,15alpha-dihydroxyergosta-4,6,8(14),22-tetraene-3-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)-9alpha,15alpha-dihydroxyergosta-4,6,8(14),22-tetraene-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > (22e,24r)-9alpha,15alpha-dihydroxyergosta-4,6,8(14),22-tetraene-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > ergostanoid > (22e,24r)-9alpha,15alpha-dihydroxyergosta-4,6,8(14),22-tetraene-3-one

Preferred term

(22e,24r)-9alpha,15alpha-dihydroxyergosta-4,6,8(14),22-tetraene-3-one  

Type

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

Broader concept

charge

  • 0

formula

  • C28H40O3

inchi

  • InChI=1S/C28H40O3/c1-17(2)18(3)7-8-19(4)23-16-24(30)25-22-10-9-20-15-21(29)11-12-27(20,6)28(22,31)14-13-26(23,25)5/h7-10,15,17-19,23-24,30-31H,11-14,16H2,1-6H3/b8-7+/t18-,19+,23+,24-,26+,27-,28+/m0/s1

inchikey

  • ZYMLXUQIZWMDND-SMDPGSKESA-N

mass

  • 424.625

monoisotopicmass

  • 424.29775

smiles

  • O=C1C=C2C=CC3=C4[C@]([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)C[C@@H]4O)(C)CC[C@@]3([C@@]2(C)CC1)O

subset

  • 2_STAR

synonym EXACT

  • (9S,10S,13R,15S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-9,15-dihydroxy-10,13-dimethyl-2,11,12,15,16,17-hexahydro-1H-cyclopenta[a]phenanthren-3-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215096

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