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Concept information

Preferred term

لپیوتاپروسرین B  

Type

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

Broader concept

charge

  • 0

formula

  • C33H46O6

inchi

  • InChI=1S/C33H46O6/c1-18(11-10-12-19(2)29(36)37-9)27-22(38-20(3)34)16-31(6)21-13-14-24-30(4,5)25(35)15-26-33(24,8)28(21)23(39-26)17-32(27,31)7/h12,15,18,22-24,27H,10-11,13-14,16-17H2,1-9H3/b19-12-/t18-,22+,23-,24+,27+,31+,32-,33-/m1/s1

inchikey

  • YVYRIGJMVOARJL-GCGFQLDISA-N

mass

  • 538.725

monoisotopicmass

  • 538.32944

smiles

  • O=C1C=C2O[C@@H]3C[C@@]4([C@H]([C@@H](OC(=O)C)C[C@]4(C5=C3[C@]2(C)[C@H](C1(C)C)CC5)C)[C@@H](CC/C=C(/C(=O)OC)/C)C)C

subset

  • 2_STAR

synonym EXACT

  • methyl (Z,6R)-6-[(1R,3R,4R,5S,7R,11R,16S)-5-acetyloxy-3,7,12,12,16-pentamethyl-13-oxo-18-oxapentacyclo[13.2.1.03,7.08,17.011,16]octadeca-8(17),14-dien-4-yl]-2-methylhept-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216758

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