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Chemistry, part 2

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Concept information

organooxygen compound > acetal > cyclic acetal > 14-hydro-15-hydroxyajugapitin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > cyclic acetal > 14-hydro-15-hydroxyajugapitin
... > 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 heterocyclic compound > cyclic acetal > 14-hydro-15-hydroxyajugapitin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > cyclic acetal > 14-hydro-15-hydroxyajugapitin
organooxygen compound > ester > carboxylic ester > acetate ester > 14-hydro-15-hydroxyajugapitin
organooxygen compound > carbonyl compound > carboxylic ester > acetate ester > 14-hydro-15-hydroxyajugapitin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > acetate ester > 14-hydro-15-hydroxyajugapitin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > acetate ester > 14-hydro-15-hydroxyajugapitin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > diterpenoid > 14-hydro-15-hydroxyajugapitin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > 14-hydro-15-hydroxyajugapitin
organooxygen compound > oxacycle > furofuran > 14-hydro-15-hydroxyajugapitin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > furofuran > 14-hydro-15-hydroxyajugapitin
... > 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 heterocyclic compound > oxacycle > furofuran > 14-hydro-15-hydroxyajugapitin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > furofuran > 14-hydro-15-hydroxyajugapitin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > furofuran > 14-hydro-15-hydroxyajugapitin
... > 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 heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > furofuran > 14-hydro-15-hydroxyajugapitin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > furofuran > 14-hydro-15-hydroxyajugapitin
... > organooxygen compound > ether > cyclic ether > epoxide > spiro-epoxide > 14-hydro-15-hydroxyajugapitin
... > organooxygen compound > oxacycle > cyclic ether > epoxide > spiro-epoxide > 14-hydro-15-hydroxyajugapitin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ether > epoxide > spiro-epoxide > 14-hydro-15-hydroxyajugapitin
... > 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 heterocyclic compound > oxacycle > cyclic ether > epoxide > spiro-epoxide > 14-hydro-15-hydroxyajugapitin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ether > epoxide > spiro-epoxide > 14-hydro-15-hydroxyajugapitin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > spiro compound > oxaspiro compound > spiro-epoxide > 14-hydro-15-hydroxyajugapitin

Preferred term

14-hydro-15-hydroxyajugapitin  

Type

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

Broader concept

charge

  • 0

formula

  • C29H44O11

has_role

inchi

  • InChI=1S/C29H44O11/c1-7-14(2)25(34)40-24-19(32)11-20-27(6,21-9-18-10-23(33)39-26(18)38-21)15(3)8-22(37-17(5)31)28(20,12-35-16(4)30)29(24)13-36-29/h14-15,18-24,26,32-33H,7-13H2,1-6H3/t14?,15-,18+,19-,20-,21+,22+,23?,24+,26-,27+,28+,29-/m1/s1

inchikey

  • SAENNVULKVVZSO-ZDEAQARGSA-N

mass

  • 568.65310

monoisotopicmass

  • 568.28836

smiles

  • CCC(C)C(=O)O[C@H]1[C@H](O)C[C@@H]2[C@@](C)([C@@H]3C[C@H]4CC(O)O[C@H]4O3)[C@H](C)C[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@@]11CO1

subset

  • 3_STAR

synonym EXACT

  • (1R,2S,3R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]-3-hydroxy-5-[(2S,3aS,6aR)-5-hydroxyhexahydrofuro[2,3-b]furan-2-yl]-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl 2-methylbutanoate

synonym RELATED

  • 14-hydro-2,15-dihydroxy-3beta-isobutyryloxyclerodin

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:67471

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