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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-10alpha-methyl-6beta-acetoxy-ergosta-7,22-diene
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > 3beta,5alpha-dihydroxy-10alpha-methyl-6beta-acetoxy-ergosta-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-10alpha-methyl-6beta-acetoxy-ergosta-7,22-diene
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > 3beta,5alpha-dihydroxy-10alpha-methyl-6beta-acetoxy-ergosta-7,22-diene
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > ergostanoid > 3beta,5alpha-dihydroxy-10alpha-methyl-6beta-acetoxy-ergosta-7,22-diene

Preferred term

3beta,5alpha-dihydroxy-10alpha-methyl-6beta-acetoxy-ergosta-7,22-diene  

Type

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

Broader concept

charge

  • 0

formula

  • C30H48O4

inchi

  • InChI=1S/C30H48O4/c1-18(2)19(3)8-9-20(4)24-10-11-25-23-16-27(34-21(5)31)30(33)17-22(32)12-15-29(30,7)26(23)13-14-28(24,25)6/h8-9,16,18-20,22,24-27,32-33H,10-15,17H2,1-7H3/b9-8+/t19-,20+,22-,24+,25?,26-,27+,28+,29-,30-/m0/s1

inchikey

  • WOOGXTMIIGJREK-VZXFSPQOSA-N

mass

  • 472.710

monoisotopicmass

  • 472.35526

smiles

  • O=C(O[C@@H]1C=C2[C@H](CC[C@]3(C2CC[C@@H]3[C@@H](/C=C/[C@@H](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,10S,13R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3,5-dihydroxy-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:212732

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