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Concept information

Preferred term

(1R,4R,5R,8R,10S,13R,14R,18R) 4,5,9,9,13,20,20 Heptamethyl 24 oxahexacyclo[17.3.2.01،18.04،17.05،14.08،13]تتراکوزان  

Type

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

Broader concept

charge

  • 0

formula

  • C30H50O2

inchi

  • InChI=1S/C30H50O2/c1-25(2)14-16-30-17-15-28(6)19(23(30)24(25)32-18-30)8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-29(21,28)7/h19-24,31H,8-18H2,1-7H3/t19?,20-,21+,22-,23-,24?,27-,28+,29+,30+/m0/s1

inchikey

  • BZNIIOGSANMIET-MZWAYPSQSA-N

mass

  • 442.728

monoisotopicmass

  • 442.38108

smiles

  • O1C2[C@@]3(C4[C@]([C@]5([C@@]([C@@]6([C@@](CC5)(C([C@@H](O)CC6)(C)C)[H])C)(CC4)[H])C)(CC[C@]3(CCC2(C)C)C1)C)[H]

subset

  • 2_STAR

synonym EXACT

  • (1R,4R,5R,8R,10S,13R,14R,18R)-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[17.3.2.01,18.04,17.05,14.08,13]tetracosan-10-ol

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181939

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