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Home> Encyclopedia > Hot Product Listed 6   > 6H-Dibenzo[b,d]pyran-1-ol,3-ethyl-6a,7,10,10a-tetrahydro-6,6,9-trimethyl-, (6aR-trans)- (9CI)
936221-73-7 structure

6H-Dibenzo[b,d]pyran-1-ol,3-ethyl-6a,7,10,10a-tetrahydro-6,6,9-trimethyl-, (6aR-trans)- (9CI)

Iupac Name:tert-butyl N-(1-cyclopentylpiperidin-4-yl)carbamate
CAS No.:936221-73-7
Molecular Weight:268.401g/mol
Molecular Formula:C55H92O (isomer)
Names and Identifiers
Synonyms

ethyl-delta-8-tetrahydrocannabinol

Inchi
InChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)16-12-8-10-17(11-9-12)13-6-4-5-7-13/h12-13H,4-11H2,1-3H3,(H,16,18)
InChkey
XNNYFIMWBZGFIW-UHFFFAOYSA-N
Canonical Smiles
CC(C)(C)OC(=O)NC1CCN(CC1)C2CCCC2
Properties
Density
1.92
Boiling Point
482.9°Cat760mmHg
Computational chemical data
  • Molecular Weight:268.401g/molg/mol
  • Molecular Formula:C55H92O
  • Compound Is Canonicalized:True
  • Exact Mass:268.215
  • Monoisotopic Mass:268.215
  • Complexity:298
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:41.6A^2
  • Heavy Atom Count:19
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceBzMAAAAAAAAAAAAAAAAAAAAYAAAAAsAAAAAAAAAAAAAAAAHgAQAAAADGzBgAQCCAPABAAI AAAAGAAAAAAAAAAAAIAIAAEAAAIAwAAMAAAAFgCAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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