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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 > halisulfate 1, (rel)-

Preferred term

halisulfate 1, (rel)-  

Type

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

Broader concept

charge

  • 0

formula

  • C31H47NaO6S

has_role

inchi

  • InChI=1S/C31H48O6S.Na/c1-21(11-13-24-19-25(32)14-15-27(24)33)9-7-10-23(3)28(37-38(34,35)36)20-26-22(2)12-16-29-30(4,5)17-8-18-31(26,29)6;/h11-12,14-15,19,23,26,28-29,32-33H,7-10,13,16-18,20H2,1-6H3,(H,34,35,36);/q;+1/p-1/b21-11+;/t23-,26+,28-,29+,31-;/m1./s1

inchikey

  • MWESFEYZPAHLCJ-NHDYRKAGSA-M

mass

  • 570.75600

monoisotopicmass

  • 570.29910

smiles

  • [Na+].[H][C@@]12CC=C(C)[C@H](C[C@@H](OS([O-])(=O)=O)[C@H](C)CCC/C(C)=C/Cc3cc(O)ccc3O)[C@@]1(C)CCCC2(C)C

subset

  • 2_STAR

synonym RELATED

  • rel-Sodium (2R,3R,7E)-9-(2,5-dihydroxyphenyl)-3,7-dimethyl-1-[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-7-nonen-2-yl sulfate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:69280

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