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

Concept information

Preferred term

کوچلیوکینول II  

Type

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

Broader concept

charge

  • 0

formula

  • C31H48O8

inchi

  • InChI=1S/C31H48O8/c1-9-16(2)24(34)18(4)19-14-20(33)23-25(35)26-29(7)12-10-21(28(5,6)36)38-22(29)11-13-30(26,8)39-27(23)31(19,37)15-17(3)32/h14,16,18,21-22,24-26,34-37H,9-13,15H2,1-8H3/t16-,18-,21+,22+,24+,25+,26+,29-,30+,31-/m0/s1

inchikey

  • OXHDJMBSISIFAC-HECYZJHRSA-N

mass

  • 548.717

monoisotopicmass

  • 548.33492

smiles

  • O=C1C2=C(O[C@@]3(CC[C@@H]4[C@@]([C@H]3[C@@H]2O)(CC[C@@H](O4)C(O)(C)C)C)C)[C@](O)(CC(=O)C)C(=C1)[C@@H]([C@H](O)[C@H](CC)C)C

subset

  • 2_STAR

synonym EXACT

  • (3R,4aR,6aR,8S,12S,12aS,12bR)-8,12-dihydroxy-9-[(2S,3R,4S)-3-hydroxy-4-methylhexan-2-yl]-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-8-(2-oxopropyl)-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-11-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:197886

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