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Concept information

Preferred term

پولولارین ای  

Type

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

charge

  • 0

formula

  • C42H57N5O8

inchi

  • InChI=1S/C42H57N5O8/c1-9-27(4)36-38(49)44-33(24-31-17-19-32(20-18-31)54-23-21-26(2)3)40(51)45(7)29(6)42(53)55-35(25-30-14-11-10-12-15-30)41(52)47-22-13-16-34(47)37(48)43-28(5)39(50)46(36)8/h10-12,14-15,17-20,27-29,33-36H,2,9,13,16,21-25H2,1,3-8H3,(H,43,48)(H,44,49)/t27-,28-,29-,33-,34-,35?,36-/m0/s1

inchikey

  • SDUUWTNLMDCMFD-ZOPCHVBZSA-N

mass

  • 759.945

monoisotopicmass

  • 759.42071

smiles

  • O=C1OC(C(=O)N2[C@H](C(=O)N[C@H](C(=O)N([C@H](C(N[C@H](C(N([C@H]1C)C)=O)CC3=CC=C(OCCC(=C)C)C=C3)=O)[C@H](CC)C)C)C)CCC2)CC4=CC=CC=C4

subset

  • 2_STAR

synonym EXACT

  • (6S,9S,12S,15S,18S)-3-benzyl-12-[(2S)-butan-2-yl]-6,7,13,15-tetramethyl-9-[[4-(3-methylbut-3-enoxy)phenyl]methyl]-4-oxa-1,7,10,13,16-pentazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:221409

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