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Concept information

Preferred term

terpendole k  

Type

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

charge

  • 0

formula

  • C32H39NO5

has_role

inchi

  • InChI=1S/C32H39NO5/c1-17(2)15-23-36-24-26(28(3,4)37-23)35-22-12-13-29(5)30(6)18(11-14-31(29,34)32(22)27(24)38-32)16-20-19-9-7-8-10-21(19)33-25(20)30/h7-10,12,15,18,23-24,26-27,33-34H,11,13-14,16H2,1-6H3/t18-,23-,24+,26-,27+,29+,30+,31-,32-/m0/s1

inchikey

  • LUGOSEHTWGECJM-KYKWBTGESA-N

mass

  • 517.65580

monoisotopicmass

  • 517.28282

smiles

  • [H][C@@]12CC[C@]3(O)[C@](C)(CC=C4O[C@@]5([H])[C@@]([H])(O[C@@H](OC5(C)C)C=C(C)C)[C@@]5([H])O[C@@]345)[C@@]1(C)c1[nH]c3ccccc3c1C2

subset

  • 3_STAR

synonym EXACT

  • (3S,4aR,4bR,5aS,5bS,7aS,13bS,13cR,16aS)-1,1,13b,13c-tetramethyl-3-(2-methylprop-1-en-1-yl)-1,4a,4b,6,7,7a,8,13,13b,13c,14,16a-dodecahydro-5bH-[1,3]dioxino[5'',4'':2',3']oxireno[4',4a']chromeno[5',6':6,7]indeno[1,2-b]indol-5b-ol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:66210

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