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Concept information

organooxygen compound > janthitrem f

Preferred term

janthitrem f  

Type

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

charge

  • 0

formula

  • C39H51NO7

inchi

  • InChI=1S/C39H51NO7/c1-19(41)45-29-17-26-28(46-33(29)35(4,5)43)11-12-37(8)38(9)20(10-13-39(26,37)44)14-24-22-15-23-21(16-27(22)40-32(24)38)25-18-34(2,3)47-36(6,7)30(25)31(23)42/h15-18,20,28-31,33,40,42-44H,10-14H2,1-9H3

inchikey

  • SHMYDSYGDWIPKT-UHFFFAOYSA-N

mass

  • 645.837

monoisotopicmass

  • 645.36655

smiles

  • OC12C(C3(C(CC1)CC4=C3NC=5C4=CC6=C(C5)C=7C(C6O)C(OC(C7)(C)C)(C)C)C)(CCC8OC(C(OC(=O)C)C=C28)C(O)(C)C)C

subset

  • 2_STAR

synonym EXACT

  • [12,21-dihydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.020,28.022,27]hentriaconta-1(17),10,18,20(28),26,29-hexaen-9-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:190850

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