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Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

combretanone e  

Type

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

charge

  • 0

formula

  • C31H50O3

has_parent_hydride

inchi

  • InChI=1S/C31H50O3/c1-19(2)29(8,34)13-9-20(3)21-10-12-28(7)25-22(32)17-23-26(4,5)24(33)11-14-30(23)18-31(25,30)16-15-27(21,28)6/h20-23,25,32,34H,1,9-18H2,2-8H3/t20-,21-,22+,23+,25+,27-,28+,29?,30-,31+/m1/s1

inchikey

  • DYFQGNVJYMAFHT-XPZPHRGNSA-N

mass

  • 470.72690

monoisotopicmass

  • 470.37600

smiles

  • C[C@H](CCC(C)(O)C(C)=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

  • 7beta,24-dihydroxy-24-methyl-9beta,19-cyclolanost-25-en-3-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:69999

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