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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 > organic hydroxy compound > hydroxy steroid > 1-hydroxy steroid > 1-deacetylpyripyropene a
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxy steroid > 1-hydroxy steroid > 1-deacetylpyripyropene a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > hydroxy steroid > 1-hydroxy steroid > 1-deacetylpyripyropene a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > 1-hydroxy steroid > 1-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 > hydroxy steroid > 1-hydroxy steroid > 1-deacetylpyripyropene a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > 1-hydroxy steroid > 1-deacetylpyripyropene a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > hydroxy steroid > 1-hydroxy steroid > 1-deacetylpyripyropene a

Preferred term

1-deacetylpyripyropene a  

Type

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

Broader concept

charge

  • 0

formula

  • C29H35NO9

inchi

  • InChI=1S/C29H35NO9/c1-15(31)36-14-28(4)20-12-22(37-16(2)32)29(5)25(27(20,3)9-8-21(28)33)24(34)23-19(39-29)11-18(38-26(23)35)17-7-6-10-30-13-17/h6-7,10-11,13,20-22,24-25,33-34H,8-9,12,14H2,1-5H3/t20-,21+,22+,24+,25-,27+,28+,29-/m1/s1

inchikey

  • MVFSPKMJAQERAO-CALNWBCTSA-N

mass

  • 541.597

monoisotopicmass

  • 541.23118

smiles

  • O=C1OC(C2=CN=CC=C2)=CC3=C1[C@H](O)[C@@H]4[C@@]5([C@H]([C@@]([C@@H](O)CC5)(COC(=O)C)C)C[C@@H]([C@]4(O3)C)OC(=O)C)C

subset

  • 2_STAR

synonym EXACT

  • [(1S,2S,5S,6R,7R,9S,10S,18R)-9-acetyloxy-5,18-dihydroxy-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-6-yl]methyl acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206140

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