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Concept information

organooxygen compound > ether > cyclic ether > epoxide > cumingianoside e

Preferred term

cumingianoside e  

Type

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

charge

  • 0

formula

  • C40H64O11

inchi

  • InChI=1S/C40H64O11/c1-20(16-24(43)33-36(6,7)51-33)23-10-15-40-19-39(23,40)14-11-26-37(8)13-12-28(48-22(3)42)35(4,5)27(37)17-29(38(26,40)9)50-34-32(46)31(45)30(44)25(49-34)18-47-21(2)41/h20,23-34,43-46H,10-19H2,1-9H3/t20-,23-,24+,25+,26+,27-,28+,29+,30+,31-,32+,33-,34-,37+,38-,39+,40+/m0/s1

inchikey

  • BWLUFHQYKRKBLP-VAEWVCEVSA-N

mass

  • 720.92960

monoisotopicmass

  • 720.44486

smiles

  • [H][C@]1(C[C@@]2([H])C(C)(C)[C@@H](CC[C@]2(C)[C@@]2([H])CC[C@]34C[C@]3(CC[C@@]4([H])[C@@H](C)C[C@@H](O)[C@]3([H])OC3(C)C)[C@]12C)OC(C)=O)O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O

subset

  • 3_STAR

synonym EXACT

  • (3alpha,7alpha,17alpha,20S,23R,24S)-7-[(6-O-acetyl-beta-D-glucopyranosyl)oxy]-23-hydroxy-24,25-epoxy-13,30-cyclodammaran-3-yl acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:65693

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