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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)-23-methylergosta-7, 22-diene-3beta, 5alpha, 6beta-triol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > (22e, 24r)-23-methylergosta-7, 22-diene-3beta, 5alpha, 6beta-triol
... > 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)-23-methylergosta-7, 22-diene-3beta, 5alpha, 6beta-triol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > (22e, 24r)-23-methylergosta-7, 22-diene-3beta, 5alpha, 6beta-triol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > ergostanoid > (22e, 24r)-23-methylergosta-7, 22-diene-3beta, 5alpha, 6beta-triol

Preferred term

(22e, 24r)-23-methylergosta-7, 22-diene-3beta, 5alpha, 6beta-triol  

Type

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

Broader concept

charge

  • 0

formula

  • C29H48O3

inchi

  • InChI=1S/C29H48O3/c1-17(2)20(5)18(3)14-19(4)23-8-9-24-22-15-26(31)29(32)16-21(30)10-13-28(29,7)25(22)11-12-27(23,24)6/h14-15,17,19-21,23-26,30-32H,8-13,16H2,1-7H3/b18-14+/t19-,20-,21+,23-,24+,25+,26-,27-,28-,29+/m1/s1

inchikey

  • CZRJCGNHTAJYEV-JFEPHHBUSA-N

mass

  • 444.700

monoisotopicmass

  • 444.36035

smiles

  • O[C@]12[C@@]([C@@H]3C([C@H]4[C@]([C@@H]([C@@H](/C=C(/[C@@H](C(C)C)C)/C)C)CC4)(C)CC3)=C[C@H]1O)(CC[C@@H](C2)O)C

subset

  • 2_STAR

synonym EXACT

  • (3S,5R,6R,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,2R,5R)-4,5,6-trimethylhept-3-en-2-yl]-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5,6-triol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:199300

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