skip to main content

Chemistry, part 2

Content language

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

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > alcohol > secondary alcohol > secondary alpha-hydroxy ketone > 10-hydroxy-18-methoxybetaenone
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > secondary alcohol > secondary alpha-hydroxy ketone > 10-hydroxy-18-methoxybetaenone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > alpha-hydroxy ketone > secondary alpha-hydroxy ketone > 10-hydroxy-18-methoxybetaenone
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alpha-hydroxy ketone > secondary alpha-hydroxy ketone > 10-hydroxy-18-methoxybetaenone
... > organooxygen compound > carbonyl compound > ketone > alpha-hydroxy ketone > secondary alpha-hydroxy ketone > 10-hydroxy-18-methoxybetaenone
... > 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 > alpha-hydroxy ketone > secondary alpha-hydroxy ketone > 10-hydroxy-18-methoxybetaenone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > alpha-hydroxy ketone > secondary alpha-hydroxy ketone > 10-hydroxy-18-methoxybetaenone

Preferred term

10-hydroxy-18-methoxybetaenone  

Type

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

Broader concept

charge

  • 0

formula

  • C22H36O6

inchi

  • InChI=1S/C22H36O6/c1-8-13(2)16-20(5,15(23)9-10-28-7)17-14(3)11-19(4,25)12-22(17,27)18(24)21(16,6)26/h9-10,13-14,16-17,25-27H,8,11-12H2,1-7H3/b10-9+/t13-,14+,16+,17+,19+,20+,21-,22+/m0/s1

inchikey

  • ONZDNBGTAVEQQN-GSUHUVJFSA-N

mass

  • 396.524

monoisotopicmass

  • 396.25119

smiles

  • O=C1[C@]2(O)[C@@H]([C@@](C(=O)/C=C/OC)(C)[C@H]([C@@]1(O)C)[C@H](CC)C)[C@@H](C[C@](C2)(O)C)C

subset

  • 2_STAR

synonym EXACT

  • (2S,3R,4R,4aR,5R,7R,8aR)-3-[(2S)-butan-2-yl]-2,7,8a-trihydroxy-4-[(E)-3-methoxyprop-2-enoyl]-2,4,5,7-tetramethyl-4a,5,6,8-tetrahydro-3H-naphthalen-1-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:209248

Download this concept:

RDF/XML TURTLE JSON-LD