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شیمی بخش اول

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

ترکیب اکسیژن ارگانیک > بریو 1

Preferred term

بریو 1  

Type

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

Broader concept

charge

  • 0

formula

  • C47H68O17

has_functional_parent

inchi

  • InChI=1S/C47H68O17/c1-10-11-12-13-14-15-39(51)62-43-31(22-41(53)58-9)21-34-25-37(28(2)48)61-42(54)24-32(50)23-35-26-38(59-29(3)49)45(6,7)46(55,63-35)27-36-19-30(20-40(52)57-8)18-33(60-36)16-17-44(4,5)47(43,56)64-34/h12-17,20,22,28,32-38,43,48,50,55-56H,10-11,18-19,21,23-27H2,1-9H3/b13-12+,15-14+,17-16-,30-20+,31-22+

inchikey

  • MJQUEDHRCUIRLF-DECOFNLXSA-N

mass

  • 905.044

monoisotopicmass

  • 904.44565

smiles

  • O1C2(O)C(C(OC(=O)C)CC1CC(O)CC(OC(CC3OC(O)(C(C=CC4OC(C2)C/C(/C4)=C/C(OC)=O)(C)C)C(OC(=O)/C=C/C=C/CCC)/C(/C3)=C/C(OC)=O)C(O)C)=O)(C)C

subset

  • 2_STAR

synonym EXACT

  • [(5Z,8Z,13E)-25-acetyloxy-1,11,21-trihydroxy-17-(1-hydroxyethyl)-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:230027

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