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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > alcohol > tertiary alcohol > 8,9-beta-epoxy caf-603
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > 8,9-beta-epoxy caf-603

Preferred term

8,9-beta-epoxy caf-603  

Type

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

Broader concept

charge

  • 0

formula

  • C15H26O3

inchi

  • InChI=1S/C15H26O3/c1-9(2)15(17)10-5-6-14(4)12(18-14)8-13(10,3)7-11(15)16/h9-12,16-17H,5-8H2,1-4H3/t10-,11+,12+,13-,14-,15-/m0/s1

inchikey

  • KZIYMGXPOZNBKF-RHTUOURWSA-N

mass

  • 254.370

monoisotopicmass

  • 254.18819

smiles

  • O1[C@]2(CC[C@@H]3[C@@](O)(C(C)C)[C@@H](C[C@]3(C[C@@H]12)C)O)C

subset

  • 2_STAR

synonym EXACT

  • (1aR,2aS,4R,5S,5aS,7aS)-2a,7a-dimethyl-5-propan-2-yl-2,3,4,5a,6,7-hexahydro-1aH-azuleno[5,6-b]oxirene-4,5-diol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:204040

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