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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 > 3beta,5alpha-dihydroxy-6beta-methoxyergosta-7,22-diene
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > 3beta,5alpha-dihydroxy-6beta-methoxyergosta-7,22-diene
... > 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 > 3beta,5alpha-dihydroxy-6beta-methoxyergosta-7,22-diene
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > 3beta,5alpha-dihydroxy-6beta-methoxyergosta-7,22-diene
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > ergostanoid > 3beta,5alpha-dihydroxy-6beta-methoxyergosta-7,22-diene

Preferred term

3beta,5alpha-dihydroxy-6beta-methoxyergosta-7,22-diene  

Type

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

Broader concept

charge

  • 0

formula

  • C29H48O3

inchi

  • InChI=1S/C29H48O3/c1-18(2)19(3)8-9-20(4)23-10-11-24-22-16-26(32-7)29(31)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h8-9,16,18-21,23-26,30-31H,10-15,17H2,1-7H3/b9-8+/t19?,20-,21+,23-,24+,25+,26-,27-,28-,29+/m1/s1

inchikey

  • GQVCGTRDXSDAHC-PWHCITEMSA-N

mass

  • 444.700

monoisotopicmass

  • 444.36035

smiles

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

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:203546

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