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Concept information

Preferred term

sesterstatin 3  

Type

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

charge

  • 0

formula

  • C25H38O4

inchi

  • InChI=1S/C25H38O4/c1-22(14-26)9-5-10-23(2)16(22)8-11-24(3)17-7-6-15-13-29-21(28)20(15)25(17,4)19(27)12-18(23)24/h16-19,26-27H,5-14H2,1-4H3/t16-,17-,18+,19+,22-,23-,24-,25+/m0/s1

inchikey

  • BHUWRPVVYSATJU-PWBGEZQRSA-N

mass

  • 402.56680

monoisotopicmass

  • 402.27701

smiles

  • [H][C@@]12CC[C@@]3(C)[C@]4([H])CCC5=C(C(=O)OC5)[C@@]4(C)[C@H](O)C[C@]3([H])[C@@]1(C)CCC[C@@]2(C)CO

subset

  • 3_STAR

synonym EXACT

  • (5aS,5bR,7aR,8R,11aR,11bR,13R,13aS)-13-hydroxy-8-(hydroxymethyl)-5b,8,11a,13a-tetramethyl-4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-hexadecahydrochryseno[1,2-c]furan-1(3H)-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:66477

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