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Concept information

organooxygen compound > ether > combretanone g

Preferred term

combretanone g  

Type

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

charge

  • 0

formula

  • C31H50O3

has_parent_hydride

inchi

  • InChI=1S/C31H50O3/c1-20(10-9-13-26(2,3)34-8)21-11-14-29(7)25-22(32)18-23-27(4,5)24(33)12-15-30(23)19-31(25,30)17-16-28(21,29)6/h9,13,20-23,25,32H,10-12,14-19H2,1-8H3/b13-9+/t20-,21-,22+,23+,25+,28-,29+,30-,31+/m1/s1

inchikey

  • PSQJXRKLAZZNHC-OLKLHFONSA-N

mass

  • 470.72690

monoisotopicmass

  • 470.37600

smiles

  • COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CCC(=O)C4(C)C

subset

  • 3_STAR

synonym EXACT

  • (23E)-7beta-hydroxy-25-methoxy-9beta,19-cyclolanost-23-en-3-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:70001

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