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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 > cholanoid > 3beta,6alpha-dihydroxy-5alpha-cholesta-9(11),24-dien-23-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > cholanoid > 3beta,6alpha-dihydroxy-5alpha-cholesta-9(11),24-dien-23-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 > cholanoid > 3beta,6alpha-dihydroxy-5alpha-cholesta-9(11),24-dien-23-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > cholanoid > 3beta,6alpha-dihydroxy-5alpha-cholesta-9(11),24-dien-23-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > cholanoid > 3beta,6alpha-dihydroxy-5alpha-cholesta-9(11),24-dien-23-one

Preferred term

3beta,6alpha-dihydroxy-5alpha-cholesta-9(11),24-dien-23-one  

Type

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

Broader concept

charge

  • 0

formula

  • C27H42O3

inchi

  • InChI=1S/C27H42O3/c1-16(2)12-19(29)13-17(3)21-6-7-22-20-15-25(30)24-14-18(28)8-10-27(24,5)23(20)9-11-26(21,22)4/h9,12,17-18,20-22,24-25,28,30H,6-8,10-11,13-15H2,1-5H3/t17?,18-,20?,21?,22?,24+,25-,26?,27?/m0/s1

inchikey

  • JMTGPYQQNHOZAL-MQQVFALHSA-N

mass

  • 414.630

monoisotopicmass

  • 414.31340

smiles

  • O[C@@H]1[C@@]2(C(C=3C(C4C(C(CC4)C(CC(=O)C=C(C)C)C)(CC3)C)C1)(CC[C@H](O)C2)C)[H]

subset

  • 2_STAR

synonym EXACT

  • 6-[(3S,5S,6S)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-en-4-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:193266

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