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 > sodium(e)-((1r,4as,4bs,8as,10as)-1-(2-((s)-2-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1h,3h,4bh)-ylidene)methyl sulfate

Preferred term

sodium(e)-((1r,4as,4bs,8as,10as)-1-(2-((s)-2-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1h,3h,4bh)-ylidene)methyl sulfate  

Type

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

Broader concept

charge

  • 0

formula

  • C25H37NaO7S

has_role

inchi

  • InChI=1S/C25H38O7S.Na/c1-23(2)11-5-12-25(4)19(23)10-13-24(3)18(8-6-16-14-21(26)32-22(16)27)17(7-9-20(24)25)15-31-33(28,29)30;/h14-15,18-20,22,27H,5-13H2,1-4H3,(H,28,29,30);/q;+1/p-1/b17-15+;/t18-,19-,20-,22-,24+,25-;/m0./s1

inchikey

  • MSWLPMNAMZJYJW-CGSXWFLESA-M

mass

  • 504.61200

monoisotopicmass

  • 504.21577

smiles

  • [Na+].[H][C@@]12CC[C@]3(C)[C@@H](CCC4=CC(=O)O[C@@H]4O)/C(CC[C@]3([H])[C@@]1(C)CCCC2(C)C)=C/OS([O-])(=O)=O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:69286

Download this concept:

RDF/XML TURTLE JSON-LD