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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 > 13-dehydroxy-1,11-deacetylpyripyropene a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > 13-dehydroxy-1,11-deacetylpyripyropene a
... > 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 > 13-dehydroxy-1,11-deacetylpyripyropene a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > 13-dehydroxy-1,11-deacetylpyripyropene a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > 13-dehydroxy-1,11-deacetylpyripyropene a

Preferred term

13-dehydroxy-1,11-deacetylpyripyropene a  

Type

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

Broader concept

charge

  • 0

formula

  • C27H33NO7

inchi

  • InChI=1S/C27H33NO7/c1-15(30)33-23-12-20-25(2,8-7-22(31)26(20,3)14-29)21-10-17-19(35-27(21,23)4)11-18(34-24(17)32)16-6-5-9-28-13-16/h5-6,9,11,13,20-23,29,31H,7-8,10,12,14H2,1-4H3/t20-,21-,22+,23+,25+,26+,27+/m1/s1

inchikey

  • UCUFMEMASFFHAG-CITFJYJESA-N

mass

  • 483.561

monoisotopicmass

  • 483.22570

smiles

  • O=C1OC(C2=CN=CC=C2)=CC3=C1C[C@@H]4[C@@]5([C@H]([C@@]([C@@H](O)CC5)(CO)C)C[C@@H]([C@]4(O3)C)OC(=O)C)C

subset

  • 2_STAR

synonym EXACT

  • [(1R,2S,5S,6R,7R,9S,10S)-5-hydroxy-6-(hydroxymethyl)-2,6,10-trimethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-9-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206134

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