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 > plicatilisin b
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > secondary alcohol > plicatilisin b

Preferred term

plicatilisin b  

Type

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

Broader concept

charge

  • 0

formula

  • C20H30O4

inchi

  • InChI=1S/C20H30O4/c1-11(2)16-15(23)9-13-18(24)17-12(10-21)14(22)5-6-19(17,3)7-8-20(13,16)4/h11,14,16,21-22,24H,5-10H2,1-4H3/t14-,16-,19-,20-/m0/s1

inchikey

  • PCSZVWIDBZFNQB-QHERXFFYSA-N

mass

  • 334.456

monoisotopicmass

  • 334.21441

smiles

  • O=C1[C@@H]([C@]2(CC[C@@]3(CC[C@@H](C(=C3C(=C2C1)O)CO)O)C)C)C(C)C

subset

  • 2_STAR

synonym EXACT

  • (3R,3aR,5aR,8S)-8,10-dihydroxy-9-(hydroxymethyl)-3a,5a-dimethyl-3-propan-2-yl-3,4,5,6,7,8-hexahydro-1H-benzo[]azulen-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:199619

Download this concept:

RDF/XML TURTLE JSON-LD