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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-(5-oxo-2,5-dihydrofuran-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-(5-oxo-2,5-dihydrofuran-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

  • C25H37NaO6S

has_role

inchi

  • InChI=1S/C25H38O6S.Na/c1-23(2)11-5-12-25(4)20(23)10-13-24(3)19(8-6-17-14-22(26)30-15-17)18(7-9-21(24)25)16-31-32(27,28)29;/h14,16,19-21H,5-13,15H2,1-4H3,(H,27,28,29);/q;+1/p-1/b18-16+;/t19-,20-,21-,24+,25-;/m0./s1

inchikey

  • NNXRQZJLAXDULG-NAVIIXIYSA-M

mass

  • 488.61200

monoisotopicmass

  • 488.22085

smiles

  • [Na+].[H][C@@]12CC[C@]3(C)[C@@H](CCC4=CC(=O)OC4)/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:69287

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