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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 > cholestanoid > 4-methyl-5-cholesta-8-en-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > cholestanoid > 4-methyl-5-cholesta-8-en-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 > cholestanoid > 4-methyl-5-cholesta-8-en-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > cholestanoid > 4-methyl-5-cholesta-8-en-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > cholestanoid > 4-methyl-5-cholesta-8-en-3-one

Preferred term

4-methyl-5-cholesta-8-en-3-one  

Type

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

Broader concept

charge

  • 0

formula

  • C28H46O

inchi

  • InChI=1S/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-20,22-24H,7-17H2,1-6H3/t19?,20-,22?,23?,24?,27+,28-/m0/s1

inchikey

  • SDZUXFFGOQZLPK-RJBGAFQBSA-N

mass

  • 398.675

monoisotopicmass

  • 398.35487

smiles

  • O=C1[C@H](C2[C@@](C3=C(C4[C@@](C(CC4)C(CCCC(C)C)C)(CC3)C)CC2)(CC1)C)C

subset

  • 2_STAR

synonym EXACT

  • (4S,10S,13R)-4,10,13-trimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:173266

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