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Chemistry, part 2

Content language

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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)-4b,8,8,10a-tetramethyl-1-(2-(2-oxo-2,5-dihydro-1h-pyrrol-3-yl)ethyl)decahydrophenanthren-2(1h,3h,4bh)-ylidene)methyl sulfate

Preferred term

sodium(e)-((1r,4as,4bs,8as,10as)-4b,8,8,10a-tetramethyl-1-(2-(2-oxo-2,5-dihydro-1h-pyrrol-3-yl)ethyl)decahydrophenanthren-2(1h,3h,4bh)-ylidene)methyl sulfate  

Type

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

Broader concept

charge

  • 0

formula

  • C25H38NNaO5S

has_role

inchi

  • InChI=1S/C25H39NO5S.Na/c1-23(2)12-5-13-25(4)20(23)10-14-24(3)19(8-6-17-11-15-26-22(17)27)18(7-9-21(24)25)16-31-32(28,29)30;/h11,16,19-21H,5-10,12-15H2,1-4H3,(H,26,27)(H,28,29,30);/q;+1/p-1/b18-16+;/t19-,20-,21-,24+,25-;/m0./s1

inchikey

  • XBSDUYJOZILBSE-NAVIIXIYSA-M

mass

  • 487.62800

monoisotopicmass

  • 487.23684

smiles

  • [Na+].[H][C@@]12CC[C@]3(C)[C@@H](CCC4=CCNC4=O)/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:69292

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