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Concept information

organooxygen compound > oxacycle > furans > 6-acetylnimbandiol

Preferred term

6-acetylnimbandiol  

Type

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

charge

  • 0

formula

  • C28H34O8

inchi

  • InChI=1S/C28H34O8/c1-14-17(16-8-10-34-13-16)11-18-22(14)28(5)19(12-21(31)33-6)27(4)20(30)7-9-26(3,32)24(27)23(25(28)36-18)35-15(2)29/h7-10,13,17-19,23-25,32H,11-12H2,1-6H3/t17-,18-,19-,23-,24+,25-,26-,27+,28-/m1/s1

inchikey

  • PWFKLZWNGVGKBA-WETHXUPTSA-N

mass

  • 498.56480

monoisotopicmass

  • 498.22537

smiles

  • COC(=O)C[C@H]1[C@@]2(C)[C@H](O[C@@H]3C[C@@H](c4ccoc4)C(C)=C23)[C@H](OC(C)=O)[C@H]2[C@](C)(O)C=CC(=O)[C@]12C

subset

  • 3_STAR

synonym EXACT

  • methyl [(2R,3aR,4aS,5R,5aS,6R,9aR,10S,10aR)-5-(acetyloxy)-2-(furan-3-yl)-6-hydroxy-1,6,9a,10a-tetramethyl-9-oxo-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-2H-cyclopenta[b]naphtho[2,3-d]furan-10-yl]acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:67306

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