skip to main content

Chemistry, part 2

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > penidioxolane b
... > 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 > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > penidioxolane b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > penidioxolane b

Preferred term

penidioxolane b  

Type

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

Broader concept

charge

  • 0

formula

  • C25H35ClO7

inchi

  • InChI=1S/C25H35ClO7/c1-7-9-19-32-22(14(3)8-2)24(5,33-19)11-10-16-12-17-18(13-30-16)23(31-15(4)27)25(6,29)21(28)20(17)26/h10-12,14,18-19,22-23,29H,7-9,13H2,1-6H3/b11-10+/t14?,18-,19+,22+,23+,24+,25-/m0/s1

inchikey

  • RXTHWSSYXJISHD-NPRPBYKOSA-N

mass

  • 483.000

monoisotopicmass

  • 482.20713

smiles

  • ClC=1C(=O)[C@](O)([C@H](OC(=O)C)[C@@H]2C1C=C(OC2)/C=C/[C@]3(O[C@H](CCC)O[C@@H]3C(CC)C)C)C

subset

  • 2_STAR

synonym EXACT

  • [(7R,8R,8aR)-3-[(E)-2-[(2R,4R,5R)-5-butan-2-yl-4-methyl-2-propyl-1,3-dioxolan-4-yl]ethenyl]-5-chloro-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1H-isochromen-8-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227729

Download this concept:

RDF/XML TURTLE JSON-LD