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

Preferred term

25-acetoxy-ergosta-3beta,5alpha,6beta-triol  

Type

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

Broader concept

charge

  • 0

formula

  • C30H52O5

inchi

  • InChI=1S/C30H52O5/c1-18(8-9-19(2)27(4,5)35-20(3)31)23-10-11-24-22-16-26(33)30(34)17-21(32)12-15-29(30,7)25(22)13-14-28(23,24)6/h18-19,21-26,32-34H,8-17H2,1-7H3/t18-,19+,21+,22+,23-,24+,25+,26-,28-,29-,30+/m1/s1

inchikey

  • NTYRSMDNACWFJE-GCYJJEFRSA-N

mass

  • 492.741

monoisotopicmass

  • 492.38147

smiles

  • O[C@]12[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CC[C@@H](C(OC(=O)C)(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,6R)-2,3-dimethyl-6-[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-3,5,6-trihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:183537

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