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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 > ergostanoid > ergosta-3beta,5alpha,6beta,25-tetrol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > ergosta-3beta,5alpha,6beta,25-tetrol
... > 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 > ergosta-3beta,5alpha,6beta,25-tetrol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > ergosta-3beta,5alpha,6beta,25-tetrol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > ergostanoid > ergosta-3beta,5alpha,6beta,25-tetrol

Preferred term

ergosta-3beta,5alpha,6beta,25-tetrol  

Type

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

Broader concept

charge

  • 0

formula

  • C28H50O4

inchi

  • InChI=1S/C28H50O4/c1-17(7-8-18(2)25(3,4)31)21-9-10-22-20-15-24(30)28(32)16-19(29)11-14-27(28,6)23(20)12-13-26(21,22)5/h17-24,29-32H,7-16H2,1-6H3/t17-,18+,19+,20+,21-,22+,23+,24-,26-,27-,28+/m1/s1

inchikey

  • DDUGSCXKUOFBQJ-UXTULTQLSA-N

mass

  • 450.704

monoisotopicmass

  • 450.37091

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (3S,5R,6R,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-6-hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:168494

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